NP-MRD: Showing NP-Card for Vinblastine Sulfate (NP0137400)

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Record Information

Version

2.0

Created at

2022-05-30 16:51:23 UTC

Updated at

2022-05-30 16:51:23 UTC

NP-MRD ID

NP0137400

Secondary Accession Numbers

None

Natural Product Identification

Common Name

Vinblastine Sulfate

Description

Vinblastine, also known as VLB or lemblastine, belongs to the class of organic compounds known as glutamic acid and derivatives. Glutamic acid and derivatives are compounds containing glutamic acid or a derivative thereof resulting from reaction of glutamic acid at the amino group or the carboxy group, or from the replacement of any hydrogen of glycine by a heteroatom. Vinblastine is a very strong basic compound (based on its pKa). Within humans, vinblastine participates in a number of enzymatic reactions. In particular, vinblastine can be converted into vinblastine; which is mediated by the enzyme multidrug resistance-associated protein 7. In addition, vinblastine can be converted into vinblastine; which is mediated by the enzyme multidrug resistance-associated protein 1. Metabolism of vinblastine has been shown to be mediated by hepatic cytochrome P450 3A isoenzymes. In humans, vinblastine is involved in vinblastine action pathway. Vinblastine is a potentially toxic compound. Route of Elimination: The major route of excretion may be through the biliary system. Vinblastine Sulfate is found in Apis cerana, Catharanthus roseus and Diospyros lotus. Vinblastine Sulfate was first documented in 1976 (PMID: 942954). The antitumor activity of vinblastine is thought to be due primarily to inhibition of mitosis at metaphase through its interaction with tubulin.

Structure

MOL 3D MOL SDF PDB SMILES InChI


  Mrv0541 02231214472D          

 61 69  0  0  0  0            999 V2000
   -2.0172   -1.7419    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.1354   -0.3474    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
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  3 30  1  0  0  0  0
 14 30  1  0  0  0  0
 14  8  1  0  0  0  0
 14 25  1  0  0  0  0
 25 20  1  0  0  0  0
 20 12  1  0  0  0  0
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 56 51  1  0  0  0  0
  2 56  2  0  0  0  0
  1  3  1  0  0  0  0
  3  7  2  0  0  0  0
  2  7  1  0  0  0  0
 16 12  1  0  0  0  0
 12  5  1  0  0  0  0
  4 10  1  0  0  0  0
  4  6  1  0  0  0  0
  5  6  2  0  0  0  0
  8  7  1  0  0  0  0
 16 10  1  0  0  0  0
  8 16  1  0  0  0  0
 10 11  1  0  0  0  0
 11  9  1  0  0  0  0
  8  9  1  1  0  0  0
 25 13  1  1  0  0  0
 12 18  1  6  0  0  0
 14 15  1  1  0  0  0
 16 17  1  6  0  0  0
 18 19  1  0  0  0  0
 20 21  1  1  0  0  0
 21 23  1  0  0  0  0
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 57 58  1  1  0  0  0
 58 60  1  0  0  0  0
 58 61  2  0  0  0  0
 60 59  1  0  0  0  0
M  END

     RDKit          3D

117125  0  0  0  0  0  0  0  0999 V2000
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M  END


  Mrv0541 02231214472D          

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M  END
> <DATABASE_ID>
NP0137400

> <DATABASE_NAME>
NP-MRD

> <SMILES>
[H][C@@]12N(C)C3=C(C=C(C(OC)=C3)[C@]3(C[C@@H]4CN(C[C@](O)(CC)C4)CCC4=C3NC3=CC=CC=C43)C(=O)OC)[C@@]11CCN3CC=C[C@@](CC)([C@@H](OC(C)=O)[C@]2(O)C(=O)OC)[C@@]13[H]

> <INCHI_IDENTIFIER>
InChI=1S/C46H58N4O9/c1-8-42(54)23-28-24-45(40(52)57-6,36-30(15-19-49(25-28)26-42)29-13-10-11-14-33(29)47-36)32-21-31-34(22-35(32)56-5)48(4)38-44(31)17-20-50-18-12-16-43(9-2,37(44)50)39(59-27(3)51)46(38,55)41(53)58-7/h10-14,16,21-22,28,37-39,47,54-55H,8-9,15,17-20,23-26H2,1-7H3/t28-,37+,38-,39-,42+,43-,44-,45+,46+/m1/s1

> <INCHI_KEY>
JXLYSJRDGCGARV-XQKSVPLYSA-N

> <FORMULA>
C46H58N4O9

> <MOLECULAR_WEIGHT>
810.9741

> <EXACT_MASS>
810.420379474

> <JCHEM_ACCEPTOR_COUNT>
9

> <JCHEM_AVERAGE_POLARIZABILITY>
87.29735795966627

> <JCHEM_BIOAVAILABILITY>
1

> <JCHEM_DONOR_COUNT>
3

> <JCHEM_FORMAL_CHARGE>
0

> <JCHEM_GHOSE_FILTER>
0

> <JCHEM_IUPAC>
methyl (1R,9R,10S,11R,12R,19R)-11-(acetyloxy)-12-ethyl-4-[(13S,15S,17S)-17-ethyl-17-hydroxy-13-(methoxycarbonyl)-1,11-diazatetracyclo[13.3.1.0⁴,¹².0⁵,¹⁰]nonadeca-4(12),5,7,9-tetraen-13-yl]-10-hydroxy-5-methoxy-8-methyl-8,16-diazapentacyclo[10.6.1.0¹,⁹.0²,⁷.0¹⁶,¹⁹]nonadeca-2(7),3,5,13-tetraene-10-carboxylate

> <ALOGPS_LOGP>
4.22

> <JCHEM_LOGP>
4.183145288000002

> <ALOGPS_LOGS>
-4.68

> <JCHEM_MDDR_LIKE_RULE>
1

> <JCHEM_NUMBER_OF_RINGS>
9

> <JCHEM_PHYSIOLOGICAL_CHARGE>
2

> <JCHEM_PKA>
14.405148771657075

> <JCHEM_PKA_STRONGEST_ACIDIC>
10.869524000991364

> <JCHEM_PKA_STRONGEST_BASIC>
8.861449486805551

> <JCHEM_POLAR_SURFACE_AREA>
154.1

> <JCHEM_REFRACTIVITY>
222.42060000000004

> <JCHEM_ROTATABLE_BOND_COUNT>
10

> <JCHEM_RULE_OF_FIVE>
0

> <ALOGPS_SOLUBILITY>
1.69e-02 g/l

> <JCHEM_TRADITIONAL_IUPAC>
vinblastine

> <JCHEM_VEBER_RULE>
0

$$$$

HEADER    PROTEIN                                 23-FEB-12   NONE
TITLE     NULL                                                        
COMPND    NULL                                                        
SOURCE    NULL                                                        
KEYWDS    NULL                                                        
EXPDTA    NULL                                                        
AUTHOR    Marvin                                                      
REVDAT   1   23-FEB-12         0                                  
HETATM    1  C   UNK     0      -3.765  -3.252   0.000  0.00  0.00           C+0
HETATM    2  C   UNK     0      -2.119  -0.648   0.000  0.00  0.00           C+0
HETATM    3  C   UNK     0      -2.239  -3.315   0.000  0.00  0.00           C+0
HETATM    4  C   UNK     0       2.866   0.594   0.000  0.00  0.00           C+0
HETATM    5  C   UNK     0       4.225  -1.699   0.000  0.00  0.00           C+0
HETATM    6  C   UNK     0       4.213  -0.162   0.000  0.00  0.00           C+0
HETATM    7  C   UNK     0      -1.387  -1.995   0.000  0.00  0.00           C+0
HETATM    8  C   UNK     0       0.164  -2.373   0.000  0.00  0.00           C+0
HETATM    9  C   UNK     0      -0.765  -1.099   0.000  0.00  0.00           C+0
HETATM   10  N   UNK     0       1.532  -0.206   0.000  0.00  0.00           N+0
HETATM   11  C   UNK     0       0.080   0.192   0.000  0.00  0.00           C+0
HETATM   12  C   UNK     0       2.891  -2.505   0.000  0.00  0.00           C+0
HETATM   13  O   UNK     0       2.457  -5.931   0.000  0.00  0.00           O+0
HETATM   14  C   UNK     0       0.164  -3.946   0.000  0.00  0.00           C+0
HETATM   15  H   UNK     0       0.164  -5.486   0.000  0.00  0.00           H+0
HETATM   16  C   UNK     0       1.584  -1.727   0.000  0.00  0.00           C+0
HETATM   17  H   UNK     0       1.584  -3.267   0.000  0.00  0.00           H+0
HETATM   18  C   UNK     0       4.308  -3.142   0.000  0.00  0.00           C+0
HETATM   19  C   UNK     0       5.641  -2.372   0.000  0.00  0.00           C+0
HETATM   20  C   UNK     0       2.805  -4.049   0.000  0.00  0.00           C+0
HETATM   21  O   UNK     0       4.139  -4.819   0.000  0.00  0.00           O+0
HETATM   22  C   UNK     0       5.472  -7.129   0.000  0.00  0.00           C+0
HETATM   23  C   UNK     0       4.139  -6.359   0.000  0.00  0.00           C+0
HETATM   24  O   UNK     0       2.805  -7.129   0.000  0.00  0.00           O+0
HETATM   25  C   UNK     0       1.446  -4.774   0.000  0.00  0.00           C+0
HETATM   26  C   UNK     0       0.676  -6.107   0.000  0.00  0.00           C+0
HETATM   27  C   UNK     0       0.676  -8.775   0.000  0.00  0.00           C+0
HETATM   28  O   UNK     0      -0.864  -6.107   0.000  0.00  0.00           O+0
HETATM   29  O   UNK     0       1.446  -7.441   0.000  0.00  0.00           O+0
HETATM   30  N   UNK     0      -1.271  -4.485   0.000  0.00  0.00           N+0
HETATM   31  C   UNK     0      -1.635  -5.981   0.000  0.00  0.00           C+0
HETATM   32  C   UNK     0      -5.995   0.808   0.000  0.00  0.00           C+0
HETATM   33  C   UNK     0      -9.696  -0.608   0.000  0.00  0.00           C+0
HETATM   34  C   UNK     0      -9.632   2.462   0.000  0.00  0.00           C+0
HETATM   35  C   UNK     0     -10.971   1.738   0.000  0.00  0.00           C+0
HETATM   36  C   UNK     0      -8.359   0.131   0.000  0.00  0.00           C+0
HETATM   37  C   UNK     0      -6.222   6.064   0.000  0.00  0.00           C+0
HETATM   38  C   UNK     0      -3.828   4.911   0.000  0.00  0.00           C+0
HETATM   39  C   UNK     0      -8.317   1.663   0.000  0.00  0.00           C+0
HETATM   40  N   UNK     0      -6.937  -0.385   0.000  0.00  0.00           N+0
HETATM   41  C   UNK     0      -6.002   3.440   0.000  0.00  0.00           C+0
HETATM   42  C   UNK     0      -6.835   2.145   0.000  0.00  0.00           C+0
HETATM   43  C   UNK     0      -8.308   2.691   0.000  0.00  0.00           C+0
HETATM   44  C   UNK     0      -3.723   2.148   0.000  0.00  0.00           C+0
HETATM   45  C   UNK     0     -11.008   0.199   0.000  0.00  0.00           C+0
HETATM   46  C   UNK     0      -4.503   3.498   0.000  0.00  0.00           C+0
HETATM   47  N   UNK     0      -6.880   4.693   0.000  0.00  0.00           N+0
HETATM   48  C   UNK     0      -8.322   4.225   0.000  0.00  0.00           C+0
HETATM   49  C   UNK     0      -4.688   6.196   0.000  0.00  0.00           C+0
HETATM   50  O   UNK     0      -5.647   7.416   0.000  0.00  0.00           O+0
HETATM   51  C   UNK     0      -4.494  -1.899   0.000  0.00  0.00           C+0
HETATM   52  O   UNK     0      -6.034  -1.899   0.000  0.00  0.00           O+0
HETATM   53  C   UNK     0      -6.804  -3.232   0.000  0.00  0.00           C+0
HETATM   54  C   UNK     0      -4.034   7.623   0.000  0.00  0.00           C+0
HETATM   55  C   UNK     0      -2.546   8.022   0.000  0.00  0.00           C+0
HETATM   56  C   UNK     0      -3.700  -0.559   0.000  0.00  0.00           C+0
HETATM   57  C   UNK     0      -4.470   0.775   0.000  0.00  0.00           C+0
HETATM   58  C   UNK     0      -3.136   1.545   0.000  0.00  0.00           C+0
HETATM   59  C   UNK     0      -0.469   1.545   0.000  0.00  0.00           C+0
HETATM   60  O   UNK     0      -1.802   0.775   0.000  0.00  0.00           O+0
HETATM   61  O   UNK     0      -3.136   3.085   0.000  0.00  0.00           O+0
CONECT    1   51    3                                                       
CONECT    2   56    7                                                       
CONECT    3   30    1    7                                                  
CONECT    4   10    6                                                       
CONECT    5   12    6                                                       
CONECT    6    4    5                                                       
CONECT    7    3    2    8                                                  
CONECT    8   14    7   16    9                                             
CONECT    9   11    8                                                       
CONECT   10    4   16   11                                                  
CONECT   11   10    9                                                       
CONECT   12   20   16    5   18                                             
CONECT   13   25                                                            
CONECT   14   30    8   25   15                                             
CONECT   15   14                                                            
CONECT   16   12   10    8   17                                             
CONECT   17   16                                                            
CONECT   18   12   19                                                       
CONECT   19   18                                                            
CONECT   20   25   12   21                                                  
CONECT   21   20   23                                                       
CONECT   22   23                                                            
CONECT   23   21   22   24                                                  
CONECT   24   23                                                            
CONECT   25   14   20   13   26                                             
CONECT   26   25   28   29                                                  
CONECT   27   29                                                            
CONECT   28   26                                                            
CONECT   29   26   27                                                       
CONECT   30    3   14   31                                                  
CONECT   31   30                                                            
CONECT   32   40   42   57                                                  
CONECT   33   45   36                                                       
CONECT   34   35   39                                                       
CONECT   35   34   45                                                       
CONECT   36   33   40   39                                                  
CONECT   37   47   49                                                       
CONECT   38   46   49                                                       
CONECT   39   34   36   42                                                  
CONECT   40   32   36                                                       
CONECT   41   46   47                                                       
CONECT   42   32   39   43                                                  
CONECT   43   42   48                                                       
CONECT   44   57   46                                                       
CONECT   45   33   35                                                       
CONECT   46   38   41   44                                                  
CONECT   47   37   41   48                                                  
CONECT   48   43   47                                                       
CONECT   49   37   38   50   54                                             
CONECT   50   49                                                            
CONECT   51    1   56   52                                                  
CONECT   52   51   53                                                       
CONECT   53   52                                                            
CONECT   54   49   55                                                       
CONECT   55   54                                                            
CONECT   56   51    2   57                                                  
CONECT   57   32   44   56   58                                             
CONECT   58   57   60   61                                                  
CONECT   59   60                                                            
CONECT   60   58   59                                                       
CONECT   61   58                                                            
MASTER        0    0    0    0    0    0    0    0   61    0  138    0
END

View in JSmol

Synonyms

Value	Source
(2ALPHA,2'BETA,3BETA,4ALPHA,5BETA)-VINCALEUKOBLASTINE	ChEBI
VLB	ChEBI
Vinblastina	Kegg
(2a,2'b,3b,4a,5b)-VINCALEUKOBLASTINE	Generator
(2Α,2'β,3β,4α,5β)-vincaleukoblastine	Generator
Gry brand OF vinblastine sulfate	HMDB
Hexal brand OF vinblastine sulfate	HMDB
Lilly brand OF vinblastine sulfate	HMDB
Velbe	HMDB
EG labo brand OF vinblastine sulfate	HMDB
Lemblastine	HMDB
Vinblastinsulfat-gry	HMDB
Vincaleukoblastine	HMDB
Faulding brand OF vinblastine sulfate	HMDB
Velban	HMDB
Vinblastin hexal	HMDB
Vinblastina lilly	HMDB
Cell pharm brand OF vinblastine sulfate	HMDB
Gastrozepin brand OF vinblastine sulfate	HMDB
Lemery brand OF vinblastine sulfate	HMDB
Sulfate, vinblastine	HMDB
Vinblastine sulfate	HMDB
Cellblastin	HMDB

Chemical Formula

C₄₆H₅₈N₄O₉

Average Mass

810.9741 Da

Monoisotopic Mass

810.42038 Da

IUPAC Name

methyl (1R,9R,10S,11R,12R,19R)-11-(acetyloxy)-12-ethyl-4-[(13S,15S,17S)-17-ethyl-17-hydroxy-13-(methoxycarbonyl)-1,11-diazatetracyclo[13.3.1.0⁴,¹².0⁵,¹⁰]nonadeca-4(12),5,7,9-tetraen-13-yl]-10-hydroxy-5-methoxy-8-methyl-8,16-diazapentacyclo[10.6.1.0¹,⁹.0²,⁷.0¹⁶,¹⁹]nonadeca-2(7),3,5,13-tetraene-10-carboxylate

Traditional Name

vinblastine

CAS Registry Number

Not Available

SMILES

[H][C@@]12N(C)C3=C(C=C(C(OC)=C3)[C@]3(C[C@@H]4CN(C[C@](O)(CC)C4)CCC4=C3NC3=CC=CC=C43)C(=O)OC)[C@@]11CCN3CC=C[C@@](CC)([C@@H](OC(C)=O)[C@]2(O)C(=O)OC)[C@@]13[H]

InChI Identifier

InChI=1S/C46H58N4O9/c1-8-42(54)23-28-24-45(40(52)57-6,36-30(15-19-49(25-28)26-42)29-13-10-11-14-33(29)47-36)32-21-31-34(22-35(32)56-5)48(4)38-44(31)17-20-50-18-12-16-43(9-2,37(44)50)39(59-27(3)51)46(38,55)41(53)58-7/h10-14,16,21-22,28,37-39,47,54-55H,8-9,15,17-20,23-26H2,1-7H3/t28-,37+,38-,39-,42+,43-,44-,45+,46+/m1/s1

InChI Key

JXLYSJRDGCGARV-XQKSVPLYSA-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
Apis cerana	LOTUS Database	35616633
Catharanthus roseus	LOTUS Database	35616633
Diospyros lotus	LOTUS Database	35616633

Chemical Taxonomy

Description

Belongs to the class of organic compounds known as glutamic acid and derivatives. Glutamic acid and derivatives are compounds containing glutamic acid or a derivative thereof resulting from reaction of glutamic acid at the amino group or the carboxy group, or from the replacement of any hydrogen of glycine by a heteroatom.

Kingdom

Organic compounds

Super Class

Organic acids and derivatives

Class

Carboxylic acids and derivatives

Sub Class

Amino acids, peptides, and analogues

Direct Parent

Glutamic acid and derivatives

Alternative Parents

Substituents

Glutamic acid or derivatives
Hippuric acid or derivatives
Hippuric acid
N-acyl-alpha-amino acid
N-acyl-alpha amino acid or derivatives
Aminobenzamide
Aminobenzoic acid or derivatives
Pteridine
Benzamide
Benzoic acid or derivatives
Benzoyl
Aniline or substituted anilines
Tertiary aliphatic/aromatic amine
Dialkylarylamine
Aminopyrimidine
Aralkylamine
Benzenoid
Pyrimidine
Pyrazine
Monocyclic benzene moiety
Dicarboxylic acid or derivatives
Heteroaromatic compound
Tertiary amine
Secondary carboxylic acid amide
Carboxamide group
Amino acid
Carboxylic acid
Organoheterocyclic compound
Azacycle
Organic oxygen compound
Primary amine
Carbonyl group
Amine
Organic oxide
Organic nitrogen compound
Organopnictogen compound
Hydrocarbon derivative
Organooxygen compound
Organonitrogen compound
Aromatic heteropolycyclic compound

Molecular Framework

Aromatic heteropolycyclic compounds

External Descriptors

monocarboxylic acid amide (CHEBI:44185 )
dicarboxylic acid (CHEBI:44185 )
pteridines (CHEBI:44185 )

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	4.22	ALOGPS
logP	4.18	ChemAxon
logS	-4.7	ALOGPS
pKa (Strongest Acidic)	10.87	ChemAxon
pKa (Strongest Basic)	8.86	ChemAxon
Physiological Charge	2	ChemAxon
Hydrogen Acceptor Count	9	ChemAxon
Hydrogen Donor Count	3	ChemAxon
Polar Surface Area	154.1 Å²	ChemAxon
Rotatable Bond Count	10	ChemAxon
Refractivity	222.42 m³·mol⁻¹	ChemAxon
Polarizability	87.3 Å³	ChemAxon
Number of Rings	9	ChemAxon
Bioavailability	Yes	ChemAxon
Rule of Five	No	ChemAxon
Ghose Filter	No	ChemAxon
Veber's Rule	No	ChemAxon
MDDR-like Rule	Yes	ChemAxon

External Links

HMDB ID

HMDB0014710

DrugBank ID

Not Available

Phenol Explorer Compound ID

Not Available

FoodDB ID

Not Available

KNApSAcK ID

C00001781

Chemspider ID

211446

KEGG Compound ID

C07201

BioCyc ID

Not Available

BiGG ID

Not Available

Wikipedia Link

Vinblastine

METLIN ID

Not Available

PubChem Compound

241903

PDB ID

Not Available

ChEBI ID

27375

Good Scents ID

Not Available

References

General References

Starling D: Two ultrastructurally distinct tubulin paracrystals induced in sea-urchin eggs by vinblastine sulphate. J Cell Sci. 1976 Jan;20(1):79-89. doi: 10.1242/jcs.20.1.79. [PubMed:942954 ]

Showing NP-Card for Vinblastine Sulfate (NP0137400)

MOL for NP0137400 (Vinblastine Sulfate)

3D MOL for NP0137400 (Vinblastine Sulfate)

3D SDF for NP0137400 (Vinblastine Sulfate)

3D-SDF for NP0137400 (Vinblastine Sulfate)

PDB for NP0137400 (Vinblastine Sulfate)

3D PDB for NP0137400 (Vinblastine Sulfate)

SMILES for NP0137400 (Vinblastine Sulfate)

INCHI for NP0137400 (Vinblastine Sulfate)

Structure for NP0137400 (Vinblastine Sulfate)

3D Structure for NP0137400 (Vinblastine Sulfate)