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

General Information of Drug (ID: DR1692)
Drug Name
Vincristine sulfate
Synonyms
Vincristine sulfate; Vincristine sulphate; Vincristinsulfat [German]; Vincrisul; 2068-78-2; 22-oxovincaleukoblastine sulfate; AI3-52944; Alkaloid extracted from Vinca rosea Linn; CCRIS 2583; CHEBI:79401; EINECS 218-190-0; Leurocristine sulfate (1:1) (salt); Leurocristine, sulfate (1:1) (salt); Lilly 37231; MLS002702994; NSC 67574; NSC67574; Oncovin; Onkovin; VCR sulfate; Vincaleukoblastine, 22-oxo-, sulfate (1:1) (salt); Vincasar PFS
Indication Acute lymphoblastic leukemia [ICD11: 2B33] Approved [1]
Structure
3D MOL is unavailable 2D MOL
Pharmaceutical Properties Molecular Weight 923 Topological Polar Surface Area 254
Heavy Atom Count 65 Rotatable Bond Count 10
Hydrogen Bond Donor Count 5 Hydrogen Bond Acceptor Count 16
Cross-matching ID
PubChem CID
249332
ChEBI ID
CHEBI:79401
CAS Number
2068-78-2
TTD Drug ID
D09QVV
Formula
C46H58N4O14S
Canonical SMILES
CCC1(CC2CC(C3=C(CCN(C2)C1)C4=CC=CC=C4N3)(C5=C(C=C6C(=C5)C78CCN9C7C(C=CC9)(C(C(C8N6C=O)(C(=O)OC)O)OC(=O)C)CC)OC)C(=O)OC)O.OS(=O)(=O)O
InChI
1S/C46H56N4O10.H2O4S/c1-7-42(55)22-28-23-45(40(53)58-5,36-30(14-18-48(24-28)25-42)29-12-9-10-13-33(29)47-36)32-20-31-34(21-35(32)57-4)50(26-51)38-44(31)16-19-49-17-11-15-43(8-2,37(44)49)39(60-27(3)52)46(38,56)41(54)59-6;1-5(2,3)4/h9-13,15,20-21,26,28,37-39,47,55-56H,7-8,14,16-19,22-25H2,1-6H3;(H2,1,2,3,4)/t28-,37+,38-,39-,42+,43-,44-,45+,46+;/m1./s1
InChIKey
AQTQHPDCURKLKT-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
Vincristine metabolite M1 DM005272
87269521
Oxidation - Oxidationn 1 [4]
The Full List of Metabolic Reaction (MR) of This Drug
MR ID Reactant Product MR Type DME REF
MR005654 Vincristine sulfate Vincristine metabolite M1 Oxidation - Oxidationn CYP3A4. CYP3A5 ... [4]
Drug-Metabolizing Enzyme(s) (DME) Metabolizing This Drug
DME Name DME Info Species Uniprot ID EC Number REF
Cytochrome P450 3A4 (CYP3A4) DME0001 Homo sapiens
CP3A4_HUMAN
1.14.14.55
[2]
Cytochrome P450 3A5 (CYP3A5) DME0012 Homo sapiens
CP3A5_HUMAN
1.14.14.1
[2]
Cytochrome P450 3A7 (CYP3A7) DME0015 Homo sapiens
CP3A7_HUMAN
1.14.14.1
[3]
References
1 Vincristine Sulfate was approved by FDA. The 2020 official website of the U.S. Food and Drug Administration.
2 Association of CYP3A5 expression and vincristine neurotoxicity in pediatric malignancies in Turkish population. J Pediatr Hematol Oncol. 2017 Aug;39(6):458-462.
3 Drug Interactions Flockhart Table
4 Selective metabolism of vincristine in vitro by CYP3A5. Drug Metab Dispos. 2006 Aug;34(8):1317-27.

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