VINBLASTINE SULFATE

Search structure
Trade Names:
Synonyms:
Status: Approved (1965)
Entry Type: Small molecule
Molecule Category: Salt
UNII: N00W22YO2B
Parent Compound: VINBLASTINE

Structure
InChI Key KDQAABAKXDWYSZ-PNYVAJAMSA-N
Smile CC[C@]1(O)C[C@@H]2CN(CCc3c([nH]c4ccccc34)[C@@](C(=O)OC)(c3cc4c(cc3OC)N(C)[C@H]3[C@@](O)(C(=O)OC)[C@H](OC(C)=O)[C@]5(CC)C=CCN6CC[C@]43[C@@H]65)C2)C1.O=S(=O)(O)O
InChI
InChI=1S/C46H58N4O9.H2O4S/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;1-5(2,3)4/h10-14,16,21-22,28,37-39,47,54-55H,8-9,15,17-20,23-26H2,1-7H3;(H2,1,2,3,4)/t28-,37-,38+,39+,42-,43+,44+,45-,46-;/m0./s1

Physicochemical Descriptors

Property Name Value
Molecular Formula C46H60N4O13S
Molecular Weight 909.07
AlogP 3.99
Hydrogen Bond Acceptor 12.0
Hydrogen Bond Donor 3.0
Number of Rotational Bond 7.0
Polar Surface Area 154.1
Molecular species BASE
Aromatic Rings 3.0
Heavy Atoms 59.0

Pharmacology

Action Mechanism of Action Reference
INHIBITOR Tubulin inhibitor DailyMed Wikipedia
Targets EC50(nM) IC50(nM) Kd(nM) Ki(nM) Inhibition(%)
Enzyme Hydrolase
- - - - 0
Structural protein
- 130-130 - - -

Indications

Mesh Heading Maximum Phase Mesh ID Reference
Hodgkin Disease 4 D006689 ClinicalTrials
Lymphoma 4 D008223 ClinicalTrials
Urinary Bladder Neoplasms 3 D001749 ClinicalTrials
Testicular Neoplasms 3 D013736 ClinicalTrials
Urinary Bladder Neoplasms 3 D001749 ClinicalTrials
Uterine Cervical Neoplasms 3 D002583 ClinicalTrials
Prostatic Neoplasms, Castration-Resistant 3 D064129 ClinicalTrials
Lung Neoplasms 3 D008175 ClinicalTrials
Neoplasms, Germ Cell and Embryonal 3 D009373 ClinicalTrials
Ovarian Neoplasms 3 D010051 ClinicalTrials
Melanoma 2 D008545 ClinicalTrials
Fibromatosis, Aggressive 2 D018222 ClinicalTrials
Kidney Neoplasms 2 D007680 ClinicalTrials
Melanoma 2 D008545 ClinicalTrials
Urethral Neoplasms 2 D014523 ClinicalTrials
Sarcoma 2 D012509 ClinicalTrials
Mesothelioma 2 D008654 ClinicalTrials

Related Entries

Scaffolds

Parent

Adverse Reactions

SOC By Demographic Distribution
System Organ Classification (SOC)
Relative Frequency (%)
Blood and lymphatic system disorders
14.5
General disorders and administration site conditions
10.69
Infections and infestations
8.02
Respiratory, thoracic and mediastinal disorders
8.02
Gastrointestinal disorders
7.63
Nervous system disorders
7.63
Vascular disorders
6.11
Metabolism and nutrition disorders
5.34
Skin and subcutaneous tissue disorders
3.82
Hepatobiliary disorders
3.44
Injury, poisoning and procedural complications
3.44
Renal and urinary disorders
3.44
Ear and labyrinth disorders
2.29
Immune system disorders
2.29
Musculoskeletal and connective tissue disorders
2.29
Neoplasms benign, malignant and unspecified (incl cysts and polyps)
2.29
Psychiatric disorders
2.29

Cross References

Resources Reference
ChEMBL CHEMBL378544
EPA CompTox DTXSID7047853
FDA SRS N00W22YO2B
Guide to Pharmacology 6851
PDB VLB
PubChem 5388983
SureChEMBL SCHEMBL3549
ZINC ZINC85432544
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