NP-MRD: Showing NP-Card for fidaxomicin (NP0203368)

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Record Information

Version

2.0

Created at

2022-09-04 22:48:16 UTC

Updated at

2022-09-04 22:48:17 UTC

NP-MRD ID

NP0203368

Secondary Accession Numbers

None

Natural Product Identification

Common Name

fidaxomicin

Description

Fidaxomicin, also known as lipiarmycin A3 or tiacumicin b, belongs to the class of organic compounds known as macrolides and analogues. These are organic compounds containing a lactone ring of at least twelve members. fidaxomicin is found in Actinoplanes deccanensis and Dactylosporangium aurantiacum. fidaxomicin was first documented in 2022 (PMID: 36057672). Based on a literature review a small amount of articles have been published on Fidaxomicin (PMID: 36004633) (PMID: 35979900) (PMID: 35964806).

Structure

MOL 3D MOL SDF PDB SMILES InChI


  Mrv1652309052200482D          

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M  END

     RDKit          3D

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M  END


  Mrv1652309052200482D          

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> <DATABASE_ID>
NP0203368

> <DATABASE_NAME>
NP-MRD

> <SMILES>
CC[C@H]1\C=C(C)\[C@@H](O)C\C=C\C=C(CO[C@@H]2O[C@H](C)[C@@H](OC(=O)C3=C(O)C(Cl)=C(O)C(Cl)=C3CC)[C@H](O)[C@@H]2OC)\C(=O)O[C@@H](C\C=C(/C)\C=C(C)\[C@@H]1O[C@@H]1OC(C)(C)[C@@H](OC(=O)C(C)C)[C@H](O)[C@@H]1O)[C@@H](C)O

> <INCHI_IDENTIFIER>
InChI=1S/C52H74Cl2O18/c1-13-30-22-26(6)33(56)18-16-15-17-31(23-66-51-45(65-12)42(61)44(29(9)67-51)69-49(64)35-32(14-2)36(53)39(58)37(54)38(35)57)48(63)68-34(28(8)55)20-19-25(5)21-27(7)43(30)70-50-41(60)40(59)46(52(10,11)72-50)71-47(62)24(3)4/h15-17,19,21-22,24,28-30,33-34,40-46,50-51,55-61H,13-14,18,20,23H2,1-12H3/b16-15+,25-19+,26-22+,27-21+,31-17+/t28-,29-,30+,33+,34+,40-,41+,42+,43+,44-,45+,46+,50-,51-/m1/s1

> <INCHI_KEY>
ZVGNESXIJDCBKN-UUEYKCAUSA-N

> <FORMULA>
C52H74Cl2O18

> <MOLECULAR_WEIGHT>
1058.05

> <EXACT_MASS>
1056.4252209

> <JCHEM_ACCEPTOR_COUNT>
15

> <JCHEM_ATOM_COUNT>
146

> <JCHEM_AVERAGE_POLARIZABILITY>
109.86239041329455

> <JCHEM_BIOAVAILABILITY>
0

> <JCHEM_DONOR_COUNT>
7

> <JCHEM_FORMAL_CHARGE>
0

> <JCHEM_GHOSE_FILTER>
0

> <JCHEM_IUPAC>
(2R,3S,4S,5S,6R)-6-{[(3E,5E,8S,9E,11S,12R,13E,15E,18S)-12-{[(2R,3S,4R,5S)-3,4-dihydroxy-6,6-dimethyl-5-[(2-methylpropanoyl)oxy]oxan-2-yl]oxy}-11-ethyl-8-hydroxy-18-[(1R)-1-hydroxyethyl]-9,13,15-trimethyl-2-oxo-1-oxacyclooctadeca-3,5,9,13,15-pentaen-3-yl]methoxy}-4-hydroxy-5-methoxy-2-methyloxan-3-yl 3,5-dichloro-2-ethyl-4,6-dihydroxybenzoate

> <JCHEM_LOGP>
8.556184696666666

> <JCHEM_MDDR_LIKE_RULE>
1

> <JCHEM_NUMBER_OF_RINGS>
4

> <JCHEM_PHYSIOLOGICAL_CHARGE>
-1

> <JCHEM_PKA>
8.551055592969375

> <JCHEM_PKA_STRONGEST_ACIDIC>
5.868526907082163

> <JCHEM_PKA_STRONGEST_BASIC>
-1.3772298889059238

> <JCHEM_POLAR_SURFACE_AREA>
266.65999999999997

> <JCHEM_REFRACTIVITY>
269.6606

> <JCHEM_ROTATABLE_BOND_COUNT>
15

> <JCHEM_RULE_OF_FIVE>
0

> <JCHEM_TRADITIONAL_IUPAC>
(2R,3S,4S,5S,6R)-6-{[(3E,5E,8S,9E,11S,12R,13E,15E,18S)-12-{[(2R,3S,4R,5S)-3,4-dihydroxy-6,6-dimethyl-5-[(2-methylpropanoyl)oxy]oxan-2-yl]oxy}-11-ethyl-8-hydroxy-18-[(1R)-1-hydroxyethyl]-9,13,15-trimethyl-2-oxo-1-oxacyclooctadeca-3,5,9,13,15-pentaen-3-yl]methoxy}-4-hydroxy-5-methoxy-2-methyloxan-3-yl 3,5-dichloro-2-ethyl-4,6-dihydroxybenzoate

> <JCHEM_VEBER_RULE>
0

$$$$

HEADER    PROTEIN                                 05-SEP-22   NONE
TITLE     NULL                                                        
COMPND    NULL                                                        
SOURCE    NULL                                                        
KEYWDS    NULL                                                        
EXPDTA    NULL                                                        
AUTHOR    Marvin                                                      
REVDAT   1   05-SEP-22         0                                  
HETATM    1  C   UNK     0       9.336 -11.550   0.000  0.00  0.00           C+0
HETATM    2  C   UNK     0      10.669 -12.320   0.000  0.00  0.00           C+0
HETATM    3  C   UNK     0      10.669 -13.860   0.000  0.00  0.00           C+0
HETATM    4  C   UNK     0      12.003 -14.630   0.000  0.00  0.00           C+0
HETATM    5 Cl   UNK     0      13.337 -13.860   0.000  0.00  0.00          Cl+0
HETATM    6  C   UNK     0      12.003 -16.170   0.000  0.00  0.00           C+0
HETATM    7  O   UNK     0      13.337 -16.940   0.000  0.00  0.00           O+0
HETATM    8  C   UNK     0      10.669 -16.940   0.000  0.00  0.00           C+0
HETATM    9 Cl   UNK     0      10.669 -18.480   0.000  0.00  0.00          Cl+0
HETATM   10  C   UNK     0       9.336 -16.170   0.000  0.00  0.00           C+0
HETATM   11  O   UNK     0       8.002 -16.940   0.000  0.00  0.00           O+0
HETATM   12  C   UNK     0       9.336 -14.630   0.000  0.00  0.00           C+0
HETATM   13  C   UNK     0       8.002 -13.860   0.000  0.00  0.00           C+0
HETATM   14  O   UNK     0       8.002 -12.320   0.000  0.00  0.00           O+0
HETATM   15  O   UNK     0       6.668 -14.630   0.000  0.00  0.00           O+0
HETATM   16  C   UNK     0       5.335 -13.860   0.000  0.00  0.00           C+0
HETATM   17  C   UNK     0       4.001 -14.630   0.000  0.00  0.00           C+0
HETATM   18  O   UNK     0       4.001 -16.170   0.000  0.00  0.00           O+0
HETATM   19  C   UNK     0       2.667 -13.860   0.000  0.00  0.00           C+0
HETATM   20  O   UNK     0       1.334 -14.630   0.000  0.00  0.00           O+0
HETATM   21  C   UNK     0      -0.000 -13.860   0.000  0.00  0.00           C+0
HETATM   22  C   UNK     0       2.667 -12.320   0.000  0.00  0.00           C+0
HETATM   23  O   UNK     0       1.334 -11.550   0.000  0.00  0.00           O+0
HETATM   24  C   UNK     0      -0.000 -12.320   0.000  0.00  0.00           C+0
HETATM   25  C   UNK     0      -1.334 -11.550   0.000  0.00  0.00           C+0
HETATM   26  C   UNK     0      -2.667 -12.320   0.000  0.00  0.00           C+0
HETATM   27  C   UNK     0      -2.667 -13.860   0.000  0.00  0.00           C+0
HETATM   28  C   UNK     0      -4.001 -14.630   0.000  0.00  0.00           C+0
HETATM   29  C   UNK     0      -4.001 -16.170   0.000  0.00  0.00           C+0
HETATM   30  C   UNK     0      -5.335 -16.940   0.000  0.00  0.00           C+0
HETATM   31  O   UNK     0      -5.335 -18.480   0.000  0.00  0.00           O+0
HETATM   32  C   UNK     0      -6.668 -16.170   0.000  0.00  0.00           C+0
HETATM   33  C   UNK     0      -6.668 -14.630   0.000  0.00  0.00           C+0
HETATM   34  C   UNK     0      -8.002 -16.940   0.000  0.00  0.00           C+0
HETATM   35  C   UNK     0      -9.336 -16.170   0.000  0.00  0.00           C+0
HETATM   36  C   UNK     0     -10.669 -16.940   0.000  0.00  0.00           C+0
HETATM   37  C   UNK     0     -10.669 -18.480   0.000  0.00  0.00           C+0
HETATM   38  C   UNK     0      -9.336 -14.630   0.000  0.00  0.00           C+0
HETATM   39  O   UNK     0     -10.669 -13.860   0.000  0.00  0.00           O+0
HETATM   40  C   UNK     0     -12.003 -14.630   0.000  0.00  0.00           C+0
HETATM   41  O   UNK     0     -12.003 -16.170   0.000  0.00  0.00           O+0
HETATM   42  C   UNK     0     -13.337 -16.940   0.000  0.00  0.00           C+0
HETATM   43  C   UNK     0     -12.347 -18.120   0.000  0.00  0.00           C+0
HETATM   44  C   UNK     0     -14.327 -18.120   0.000  0.00  0.00           C+0
HETATM   45  C   UNK     0     -14.670 -16.170   0.000  0.00  0.00           C+0
HETATM   46  O   UNK     0     -16.004 -16.940   0.000  0.00  0.00           O+0
HETATM   47  C   UNK     0     -16.004 -18.480   0.000  0.00  0.00           C+0
HETATM   48  O   UNK     0     -14.670 -19.250   0.000  0.00  0.00           O+0
HETATM   49  C   UNK     0     -17.338 -19.250   0.000  0.00  0.00           C+0
HETATM   50  C   UNK     0     -17.338 -20.790   0.000  0.00  0.00           C+0
HETATM   51  C   UNK     0     -18.672 -18.480   0.000  0.00  0.00           C+0
HETATM   52  C   UNK     0     -14.670 -14.630   0.000  0.00  0.00           C+0
HETATM   53  O   UNK     0     -16.004 -13.860   0.000  0.00  0.00           O+0
HETATM   54  C   UNK     0     -13.337 -13.860   0.000  0.00  0.00           C+0
HETATM   55  O   UNK     0     -13.337 -12.320   0.000  0.00  0.00           O+0
HETATM   56  C   UNK     0      -8.002 -13.860   0.000  0.00  0.00           C+0
HETATM   57  C   UNK     0      -6.471 -13.699   0.000  0.00  0.00           C+0
HETATM   58  C   UNK     0      -8.002 -12.320   0.000  0.00  0.00           C+0
HETATM   59  C   UNK     0      -6.668 -11.550   0.000  0.00  0.00           C+0
HETATM   60  C   UNK     0      -5.335 -12.320   0.000  0.00  0.00           C+0
HETATM   61  C   UNK     0      -6.668 -10.010   0.000  0.00  0.00           C+0
HETATM   62  C   UNK     0      -5.335  -9.240   0.000  0.00  0.00           C+0
HETATM   63  C   UNK     0      -4.001 -10.010   0.000  0.00  0.00           C+0
HETATM   64  C   UNK     0      -4.001  -8.470   0.000  0.00  0.00           C+0
HETATM   65  C   UNK     0      -2.667  -7.700   0.000  0.00  0.00           C+0
HETATM   66  O   UNK     0      -5.335  -7.700   0.000  0.00  0.00           O+0
HETATM   67  O   UNK     0      -2.667  -9.240   0.000  0.00  0.00           O+0
HETATM   68  C   UNK     0      -1.334 -10.010   0.000  0.00  0.00           C+0
HETATM   69  O   UNK     0      -0.000  -9.240   0.000  0.00  0.00           O+0
HETATM   70  O   UNK     0       4.001 -11.550   0.000  0.00  0.00           O+0
HETATM   71  C   UNK     0       5.335 -12.320   0.000  0.00  0.00           C+0
HETATM   72  C   UNK     0       6.668 -11.550   0.000  0.00  0.00           C+0
CONECT    1    2                                                            
CONECT    2    1    3                                                       
CONECT    3    2    4   12                                                  
CONECT    4    3    5    6                                                  
CONECT    5    4                                                            
CONECT    6    4    7    8                                                  
CONECT    7    6                                                            
CONECT    8    6    9   10                                                  
CONECT    9    8                                                            
CONECT   10    8   11   12                                                  
CONECT   11   10                                                            
CONECT   12   10    3   13                                                  
CONECT   13   12   14   15                                                  
CONECT   14   13                                                            
CONECT   15   13   16                                                       
CONECT   16   15   17   71                                                  
CONECT   17   16   18   19                                                  
CONECT   18   17                                                            
CONECT   19   17   20   22                                                  
CONECT   20   19   21                                                       
CONECT   21   20                                                            
CONECT   22   19   23   70                                                  
CONECT   23   22   24                                                       
CONECT   24   23   25                                                       
CONECT   25   24   26   68                                                  
CONECT   26   25   27                                                       
CONECT   27   26   28                                                       
CONECT   28   27   29                                                       
CONECT   29   28   30                                                       
CONECT   30   29   31   32                                                  
CONECT   31   30                                                            
CONECT   32   30   33   34                                                  
CONECT   33   32                                                            
CONECT   34   32   35                                                       
CONECT   35   34   36   38                                                  
CONECT   36   35   37                                                       
CONECT   37   36                                                            
CONECT   38   35   39   56                                                  
CONECT   39   38   40                                                       
CONECT   40   39   41   54                                                  
CONECT   41   40   42                                                       
CONECT   42   41   43   44   45                                             
CONECT   43   42                                                            
CONECT   44   42                                                            
CONECT   45   42   46   52                                                  
CONECT   46   45   47                                                       
CONECT   47   46   48   49                                                  
CONECT   48   47                                                            
CONECT   49   47   50   51                                                  
CONECT   50   49                                                            
CONECT   51   49                                                            
CONECT   52   45   53   54                                                  
CONECT   53   52                                                            
CONECT   54   52   40   55                                                  
CONECT   55   54                                                            
CONECT   56   38   57   58                                                  
CONECT   57   56                                                            
CONECT   58   56   59                                                       
CONECT   59   58   60   61                                                  
CONECT   60   59                                                            
CONECT   61   59   62                                                       
CONECT   62   61   63                                                       
CONECT   63   62   64   67                                                  
CONECT   64   63   65   66                                                  
CONECT   65   64                                                            
CONECT   66   64                                                            
CONECT   67   63   68                                                       
CONECT   68   67   25   69                                                  
CONECT   69   68                                                            
CONECT   70   22   71                                                       
CONECT   71   70   16   72                                                  
CONECT   72   71                                                            
MASTER        0    0    0    0    0    0    0    0   72    0  150    0
END

View in JSmol

Synonyms

Value	Source
Lipiarmycin a3	MeSH
Lipiarmycin b4	MeSH
Lipiarmycin a4	MeSH
Lipiarmycin b3	MeSH
Tiacumicin b	MeSH
PAR 101	MeSH
Lipiarmycin	MeSH
Lipiarmycin b	MeSH
Tiacumicin C	MeSH
Dificid	MeSH
PAR-101	MeSH

Chemical Formula

C₅₂H₇₄Cl₂O₁₈

Average Mass

1058.0500 Da

Monoisotopic Mass

1056.42522 Da

IUPAC Name

(2R,3S,4S,5S,6R)-6-{[(3E,5E,8S,9E,11S,12R,13E,15E,18S)-12-{[(2R,3S,4R,5S)-3,4-dihydroxy-6,6-dimethyl-5-[(2-methylpropanoyl)oxy]oxan-2-yl]oxy}-11-ethyl-8-hydroxy-18-[(1R)-1-hydroxyethyl]-9,13,15-trimethyl-2-oxo-1-oxacyclooctadeca-3,5,9,13,15-pentaen-3-yl]methoxy}-4-hydroxy-5-methoxy-2-methyloxan-3-yl 3,5-dichloro-2-ethyl-4,6-dihydroxybenzoate

Traditional Name

CAS Registry Number

Not Available

SMILES

CC[C@H]1\C=C(C)\[C@@H](O)C\C=C\C=C(CO[C@@H]2O[C@H](C)[C@@H](OC(=O)C3=C(O)C(Cl)=C(O)C(Cl)=C3CC)[C@H](O)[C@@H]2OC)\C(=O)O[C@@H](C\C=C(/C)\C=C(C)\[C@@H]1O[C@@H]1OC(C)(C)[C@@H](OC(=O)C(C)C)[C@H](O)[C@@H]1O)[C@@H](C)O

InChI Identifier

InChI=1S/C52H74Cl2O18/c1-13-30-22-26(6)33(56)18-16-15-17-31(23-66-51-45(65-12)42(61)44(29(9)67-51)69-49(64)35-32(14-2)36(53)39(58)37(54)38(35)57)48(63)68-34(28(8)55)20-19-25(5)21-27(7)43(30)70-50-41(60)40(59)46(52(10,11)72-50)71-47(62)24(3)4/h15-17,19,21-22,24,28-30,33-34,40-46,50-51,55-61H,13-14,18,20,23H2,1-12H3/b16-15+,25-19+,26-22+,27-21+,31-17+/t28-,29-,30+,33+,34+,40-,41+,42+,43+,44-,45+,46+,50-,51-/m1/s1

InChI Key

ZVGNESXIJDCBKN-UUEYKCAUSA-N

Experimental Spectra

Not Available

Predicted Spectra

Spectrum Type	Description	Depositor ID	Depositor Organization	Depositor	Deposition Date	View
1D NMR	¹³C NMR Spectrum (1D, 25 MHz, H₂O, predicted)	Wishart Lab	Wishart Lab	David Wishart	2021-06-20	View Spectrum
1D NMR	¹H NMR Spectrum (1D, 100 MHz, H₂O, predicted)	Wishart Lab	Wishart Lab	David Wishart	2021-06-20	View Spectrum
1D NMR	¹³C NMR Spectrum (1D, 252 MHz, H₂O, predicted)	Wishart Lab	Wishart Lab	David Wishart	2021-06-20	View Spectrum
1D NMR	¹H NMR Spectrum (1D, 1000 MHz, H₂O, predicted)	Wishart Lab	Wishart Lab	David Wishart	2021-06-20	View Spectrum
1D NMR	¹³C NMR Spectrum (1D, 50 MHz, H₂O, predicted)	Wishart Lab	Wishart Lab	David Wishart	2021-06-20	View Spectrum
1D NMR	¹H NMR Spectrum (1D, 200 MHz, H₂O, predicted)	Wishart Lab	Wishart Lab	David Wishart	2021-06-20	View Spectrum
1D NMR	¹³C NMR Spectrum (1D, 75 MHz, H₂O, predicted)	Wishart Lab	Wishart Lab	David Wishart	2021-06-20	View Spectrum
1D NMR	¹H NMR Spectrum (1D, 300 MHz, H₂O, predicted)	Wishart Lab	Wishart Lab	David Wishart	2021-06-20	View Spectrum
1D NMR	¹³C NMR Spectrum (1D, 101 MHz, H₂O, predicted)	Wishart Lab	Wishart Lab	David Wishart	2021-06-20	View Spectrum
1D NMR	¹H NMR Spectrum (1D, 400 MHz, H₂O, predicted)	Wishart Lab	Wishart Lab	David Wishart	2021-06-20	View Spectrum
1D NMR	¹³C NMR Spectrum (1D, 126 MHz, H₂O, predicted)	Wishart Lab	Wishart Lab	David Wishart	2021-06-20	View Spectrum
1D NMR	¹H NMR Spectrum (1D, 500 MHz, H₂O, predicted)	Wishart Lab	Wishart Lab	David Wishart	2021-06-20	View Spectrum
1D NMR	¹³C NMR Spectrum (1D, 151 MHz, H₂O, predicted)	Wishart Lab	Wishart Lab	David Wishart	2021-06-20	View Spectrum
1D NMR	¹H NMR Spectrum (1D, 600 MHz, H₂O, predicted)	Wishart Lab	Wishart Lab	David Wishart	2021-06-20	View Spectrum
1D NMR	¹³C NMR Spectrum (1D, 176 MHz, H₂O, predicted)	Wishart Lab	Wishart Lab	David Wishart	2021-06-20	View Spectrum
1D NMR	¹H NMR Spectrum (1D, 700 MHz, H₂O, predicted)	Wishart Lab	Wishart Lab	David Wishart	2021-06-20	View Spectrum
1D NMR	¹³C NMR Spectrum (1D, 201 MHz, H₂O, predicted)	Wishart Lab	Wishart Lab	David Wishart	2021-06-20	View Spectrum
1D NMR	¹H NMR Spectrum (1D, 800 MHz, H₂O, predicted)	Wishart Lab	Wishart Lab	David Wishart	2021-06-20	View Spectrum
1D NMR	¹³C NMR Spectrum (1D, 226 MHz, H₂O, predicted)	Wishart Lab	Wishart Lab	David Wishart	2021-06-20	View Spectrum
1D NMR	¹H NMR Spectrum (1D, 900 MHz, H₂O, predicted)	Wishart Lab	Wishart Lab	David Wishart	2021-06-20	View Spectrum

Chemical Shift Submissions

Not Available

Species

Species of Origin

Species Name	Source	Reference
Actinoplanes deccanensis	LOTUS Database	35616633
Dactylosporangium aurantiacum	LOTUS Database	35616633

Chemical Taxonomy

Description

Belongs to the class of organic compounds known as macrolides and analogues. These are organic compounds containing a lactone ring of at least twelve members.

Kingdom

Organic compounds

Super Class

Phenylpropanoids and polyketides

Class

Macrolides and analogues

Sub Class

Not Available

Direct Parent

Macrolides and analogues

Alternative Parents

Substituents

Macrolide
P-hydroxybenzoic acid alkyl ester
P-hydroxybenzoic acid ester
O-hydroxybenzoic acid ester
Glycosyl compound
Dihydroxybenzoic acid
O-glycosyl compound
Benzoate ester
Salicylic acid or derivatives
3-halobenzoic acid or derivatives
Halobenzoic acid or derivatives
Tricarboxylic acid or derivatives
Benzoic acid or derivatives
Benzoyl
1,3-dichlorobenzene
4-halophenol
2-halophenol
Resorcinol
2-chlorophenol
4-chlorophenol
Chlorobenzene
Halobenzene
Phenol
Aryl halide
Oxane
Monosaccharide
Monocyclic benzene moiety
Benzenoid
Aryl chloride
Vinylogous acid
Alpha,beta-unsaturated carboxylic ester
Enoate ester
Carboxylic acid ester
Lactone
Secondary alcohol
Ether
Dialkyl ether
Acetal
Carboxylic acid derivative
Organoheterocyclic compound
Oxacycle
Alcohol
Carbonyl group
Organic oxygen compound
Organic oxide
Hydrocarbon derivative
Organohalogen compound
Organochloride
Organooxygen compound
Aromatic heteromonocyclic compound

Molecular Framework

Aromatic heteromonocyclic compounds

External Descriptors

Not Available

Physical Properties

State

Not Available

Experimental Properties

Property	Value	Reference
Melting Point	Not Available	Not Available
Boiling Point	Not Available	Not Available
Water Solubility	Not Available	Not Available
LogP	Not Available	Not Available

Predicted Properties

Property	Value	Source
logP	8.56	ChemAxon
pKa (Strongest Acidic)	5.87	ChemAxon
pKa (Strongest Basic)	-1.4	ChemAxon
Physiological Charge	-1	ChemAxon
Hydrogen Acceptor Count	15	ChemAxon
Hydrogen Donor Count	7	ChemAxon
Polar Surface Area	266.66 Å²	ChemAxon
Rotatable Bond Count	15	ChemAxon
Refractivity	269.66 m³·mol⁻¹	ChemAxon
Polarizability	109.86 Å³	ChemAxon
Number of Rings	4	ChemAxon
Bioavailability	No	ChemAxon
Rule of Five	No	ChemAxon
Ghose Filter	No	ChemAxon
Veber's Rule	No	ChemAxon
MDDR-like Rule	Yes	ChemAxon

External Links

HMDB ID

Not Available

DrugBank ID

Not Available

Phenol Explorer Compound ID

Not Available

FoodDB ID

Not Available

KNApSAcK ID

Not Available

Chemspider ID

8209640

KEGG Compound ID

Not Available

BioCyc ID

Not Available

BiGG ID

Not Available

Wikipedia Link

Fidaxomicin

METLIN ID

Not Available

PubChem Compound

10034073

PDB ID

Not Available

ChEBI ID

Not Available

Good Scents ID

Not Available

References

General References

Dai J, Gong J, Guo R: Real-world comparison of fidaxomicin versus vancomycin or metronidazole in the treatment of Clostridium difficile infection: a systematic review and meta-analysis. Eur J Clin Pharmacol. 2022 Nov;78(11):1727-1737. doi: 10.1007/s00228-022-03376-1. Epub 2022 Sep 3. [PubMed:36057672 ]
Lee MR, Kim ES: [Clostridioides Infection in Patients with Inflammatory Bowel Disease]. Korean J Gastroenterol. 2022 Aug 25;80(2):66-71. doi: 10.4166/kjg.2022.097. [PubMed:36004633 ]
Cao YR, Li YF, Wang JJ, Yang HJ, Wei Q, Yu JC, Cao GY, Gao J, Zhang J, Li XN, Yu SY: Pharmacokinetic evaluation and relative bioavailability pilot study of fidaxomicin in healthy Chinese subjects: An open, randomized, single-dose, cross-over study. Int J Clin Pharmacol Ther. 2022 Oct;60(10):448-458. doi: 10.5414/CP204263. [PubMed:35979900 ]
Tashiro S, Mihara T, Sasaki M, Shimamura C, Shimamura R, Suzuki S, Yoshikawa M, Hasegawa T, Enoki Y, Taguchi K, Matsumoto K, Ohge H, Suzuki H, Nakamura A, Mori N, Morinaga Y, Yamagishi Y, Yoshizawa S, Yanagihara K, Mikamo H, Kunishima H: Oral fidaxomicin versus vancomycin for the treatment of Clostridioides difficile infection: A systematic review and meta-analysis of randomized controlled trials. J Infect Chemother. 2022 Nov;28(11):1536-1545. doi: 10.1016/j.jiac.2022.08.008. Epub 2022 Aug 11. [PubMed:35964806 ]
LOTUS database [Link]

Showing NP-Card for fidaxomicin (NP0203368)

MOL for NP0203368 (fidaxomicin)

3D MOL for NP0203368 (fidaxomicin)

3D SDF for NP0203368 (fidaxomicin)

3D-SDF for NP0203368 (fidaxomicin)

PDB for NP0203368 (fidaxomicin)

3D PDB for NP0203368 (fidaxomicin)

SMILES for NP0203368 (fidaxomicin)

INCHI for NP0203368 (fidaxomicin)

Structure for NP0203368 (fidaxomicin)

3D Structure for NP0203368 (fidaxomicin)