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

General Information of Drug (ID: DR1690)
Drug Name
Vincamine
Synonyms
Anasclerol; Anasclerol (base); Angiopac; Arteriovinca; Decincan; Devincan; Devinkan; Equipur; Methyl vincaminate; Minorin; Minorine; Monorin; Novicet; Ocu-vinc; Oxygeron; Perval; Pervincamine; Pervone; Tripervan; Vinca-Ecobi; Vinca-Minor; Vincachron; Vincadar; Vincafolina; Vincafor; Vincagil; Vincamidol; Vincamin; Vincamina [DCIT]; Vincamine [INN:BAN:DCF]; Vincamine base; Vincaminum [INN-Latin]; Vincapan; Vincapront; Vincasaunier; Vincimax; Vinkametrin; Vinodrel retard; vincamine; (+)-Vincamine; 1617-90-9; HSDB 7150; UNII-996XVD0JHT; Vinca
Indication Cerebrovascular dementia [ICD11: 6D81] Phase 2 [1]
Structure
3D MOL 2D MOL
Pharmaceutical Properties Molecular Weight 354.4 Topological Polar Surface Area 54.7
Heavy Atom Count 26 Rotatable Bond Count 3
Hydrogen Bond Donor Count 1 Hydrogen Bond Acceptor Count 4
Cross-matching ID
PubChem CID
15376
PubChem SID
11442 ; 589983 ; 605104 ; 3137905 ; 8161547 ; 10321482 ; 11466299 ; 11467419 ; 11486097 ; 14901040 ; 15928943 ; 24712294 ; 24851332 ; 29204673 ; 29283340 ; 47573493 ; 47646670 ; 47795170 ; 48094657 ; 48243519 ; 48394062 ; 48424315 ; 49698413 ; 50063094 ; 50227572 ; 56463369 ; 57328977 ; 81092948 ; 85789347 ; 90455313 ; 92125108 ; 93619689 ; 96025360 ; 103763450 ; 103913976 ; 104336990 ; 121362779 ; 124812111 ; 124896567 ; 126623137 ; 126648205 ; 134224874 ; 134979517 ; 135652725 ; 136043617 ; 137006675 ; 143315335 ; 144204895 ; 144212285 ; 152035890
ChEBI ID
CHEBI:9985
CAS Number
1617-90-9
TTD Drug ID
D08UGJ
Formula
C21H26N2O3
Canonical SMILES
CCC12CCCN3C1C4=C(CC3)C5=CC=CC=C5N4C(C2)(C(=O)OC)O
InChI
1S/C21H26N2O3/c1-3-20-10-6-11-22-12-9-15-14-7-4-5-8-16(14)23(17(15)18(20)22)21(25,13-20)19(24)26-2/h4-5,7-8,18,25H,3,6,9-13H2,1-2H3/t18-,20+,21+/m1/s1
InChIKey
RXPRRQLKFXBCSJ-GIVPXCGWSA-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
Vincamine Metabolite V1 DM003647 N. A. Hydrolysis - Hydrolysis 1 [3]
Vincamine Metabolite V3 DM003649 N. A. Oxidation - Hydrolyzationn 1 [3]
Vincamine Metabolite V5 DM003651 N. A. Unclear 1 [3]
Vincamine Metabolite V2 DM003648 N. A. Multi-steps Reaction - Decarboxylation; oxidation 2 [3]
Vincamine Metabolite V4 DM003650 N. A. Oxidation - Oxidationn 2 [3]
Vincamine Metabolite V6 DM003652 N. A. Unclear 2 [3]
The Full List of Metabolic Reaction (MR) of This Drug
MR ID Reactant Product MR Type DME REF
MR004064 Vincamine Vincamine Metabolite V1 Hydrolysis - Hydrolysis Unclear [3]
MR004066 Vincamine Vincamine Metabolite V3 Oxidation - Hydrolyzationn Unclear [3]
MR004068 Vincamine Vincamine Metabolite V5 Unclear Unclear [3]
MR004065 Vincamine Metabolite V1 Vincamine Metabolite V2 Multi-steps Reaction - Decarboxylation; oxidation Unclear [3]
MR004067 Vincamine Metabolite V3 Vincamine Metabolite V4 Oxidation - Oxidationn Unclear [3]
MR004069 Vincamine Metabolite V5 Vincamine Metabolite V6 Unclear Unclear [3]
⏷ Show the Full List of 6 MR(s)
Drug-Metabolizing Enzyme(s) (DME) Metabolizing This Drug
DME Name DME Info Species Uniprot ID EC Number REF
Cytochrome P450 1A2 (CYP1A2) DME0003 Homo sapiens
CP1A2_HUMAN
1.14.14.1
[2]
Cytochrome P450 2D6 (CYP2D6) DME0009 Homo sapiens
CP2D6_HUMAN
1.14.14.1
[2]
Cytochrome P450 2E1 (CYP2E1) DME0013 Homo sapiens
CP2E1_HUMAN
1.14.14.1
[2]
Cytochrome P450 3A4 (CYP3A4) DME0001 Homo sapiens
CP3A4_HUMAN
1.14.14.55
[2]
References
1 Therapeutic efficacy of vincamine in dementia. Neuropsychobiology. 1996;34(1):29-35.
2 Characterization of human cytochrome P450 isoenzymes involved in the metabolism of vinorelbine. Fundam Clin Pharmacol. 2005 Oct;19(5):545-53.
3 Pharmacokinetics and metabolism of vincamine and related compounds

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