Details of the Drug Metabolized by Drug-Metabolizing Enzyme (DME)

General Information of Drug (ID: DR1689)
Drug Name
Vinblastine sulfate
Synonyms
Vinblastine sulfate; Vinblastine sulfate [USAN:JAN]; Vinblastine sulphate; Vinblastine, hydrate; Vincaleucoblastine sulfate; Vincaleukoblastine sulfate; Vincaleukoblastine sulfate (1:1) (salt); Vincaleukoblastine sulfate salt; Vincaleukoblastine, sulfate; Vincaleukoblastine, sulfate (1:1) (salt); Vinblastin; Vinblastina; Vinblastina [DCIT]; Vinblastine [INN:BAN]; Vinblastinum; Vinblastinum [INN-Latin]; Vincaleucoblastin; Vincaleukoblastine; Vincoblastine; Vinblastine; (2ALPHA,2'BETA,3BETA,4ALPHA,5BETA)-VINCALEUKOBLASTINE; 29060-LE; 5V9KLZ54CY; 865-21-4; C46H58N4O9; CCRIS 9002; CHEMBL159; EINECS 212-734-0; HSDB 3263; NCI-C04842; NDC 0002-1452-01; NSC 47842; Nincaluicolflastine; Rozevin; UNII-5V9KLZ54CY; VR-8; Velban; Velbe; 143-67-9; 29060 LE; AI3-52943; Belvan, VLB; C46H58N4O9.H2O4S; CCRIS 2584; CHEBI:9984; EINECS 205-606-0; EXAL; Exal (TN); MFCD00082457; MFCD08706468; NSC 49842; NSC-49842; NSC49842; Rozevin sulfate; VLB monosulfate; Velban (TN); Vinblastine 5
Indication Breast cancer [ICD11: 2C60] Approved [1]
Structure
3D MOL is unavailable 2D MOL
Pharmaceutical Properties Molecular Weight 909.1 Topological Polar Surface Area 237
Heavy Atom Count 64 Rotatable Bond Count 10
Hydrogen Bond Donor Count 5 Hydrogen Bond Acceptor Count 16
Cross-matching ID
PubChem CID
241902
ChEBI ID
CHEBI:9984
CAS Number
143-67-9
TTD Drug ID
D0W9MM
Formula
C46H60N4O13S
Canonical SMILES
CCC1(CC2CC(C3=C(CCN(C2)C1)C4=CC=CC=C4N3)(C5=C(C=C6C(=C5)C78CCN9C7C(C=CC9)(C(C(C8N6C)(C(=O)OC)O)OC(=O)C)CC)OC)C(=O)OC)O.OS(=O)(=O)O
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+;/m1./s1
InChIKey
KDQAABAKXDWYSZ-JKDPCDLQSA-N
The Metabolic Roadmap of This Drug
The Full List of Drug Metabolites (DM) of This Drug
DM Name DM ID PubChem ID Reaction DM Level REF
Desacetylvinblastine DM005271
197026
Unclear 1 [5]
The Full List of Metabolic Reaction (MR) of This Drug
MR ID Reactant Product MR Type DME REF
MR005653 Vinblastine sulfate Desacetylvinblastine Unclear CYP3A4 [5]
Drug-Metabolizing Enzyme(s) (DME) Metabolizing This Drug
DME Name DME Info Species Uniprot ID EC Number REF
Cytochrome P450 2D6 (CYP2D6) DME0009 Homo sapiens
CP2D6_HUMAN
1.14.14.1
[2]
Cytochrome P450 3A4 (CYP3A4) DME0001 Homo sapiens
CP3A4_HUMAN
1.14.14.55
[3]
Cytochrome P450 3A5 (CYP3A5) DME0012 Homo sapiens
CP3A5_HUMAN
1.14.14.1
[4]
References
1 Vinblastine Sulfate was approved by FDA. The 2020 official website of the U.S. Food and Drug Administration.
2 Inhibitory effects of anticancer drugs on dextromethorphan-O-demethylase activity in human liver microsomes. Cancer Chemother Pharmacol. 1993;32(6):491-5.
3 Induction of CYP3A4 by vinblastine: role of the nuclear receptor NR1I2. Ann Pharmacother. 2010 Nov;44(11):1709-17.
4 Drug related genetic polymorphisms affecting adverse reactions to methotrexate, vinblastine, doxorubicin and cisplatin in patients with urothelial cancer. J Urol. 2008 Dec;180(6):2389-95.
5 Pharmacokinetics and metabolism of vinblastine in humans

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