Details of the Drug

General Information of Drug (ID: DMK1ZOR)

Drug Name
Vincamine
Synonyms
vincamine; 1617-90-9; Pervincamine; Devincan; Minorine; Vincamidol; Novicet; Monorin; Methyl vincaminate; Arteriovinca; Vincasaunier; Vinkametrin; Devinkan; Decincan; Vincapront; Vincafolina; Vincadar; Tripervan; Angiopac; Anasclerol; (+)-Vincamine; Equipur; Pervone; Oxygeron; Vincafor; Perval; Ocu-vinc; Vincamina [DCIT]; Vincimax; Vincamine base; Vincaminum [INN-Latin]; UNII-996XVD0JHT; Vincamine [INN:BAN:DCF]; Minorin; Vincachron; Vincapan; Vincamin; Vincagil; Vinca; Vinodrel retard; Vinca-Minor; Vinca-Ecobi; HSDB 7150; Anasclerol (base)
Indication
Disease Entry ICD 11 Status REF
Cerebrovascular disease 8B2Z Approved [1]
ATC Code
C04AX07: Vincamine
C04AX: Other peripheral vasodilators
C04A: PERIPHERAL VASODILATORS
C04: PERIPHERAL VASODILATORS
C: CARDIOVASCULAR SYSTEM
Drug Type
Small molecular drug
Structure
3D MOL 2D MOL
#Ro5 Violations (Lipinski): 0 Molecular Weight (mw) 354.4
Logarithm of the Partition Coefficient (xlogp) 2.9
Rotatable Bond Count (rotbonds) 3
Hydrogen Bond Donor Count (hbonddonor) 1
Hydrogen Bond Acceptor Count (hbondacc) 4
Chemical Identifiers
Formula
C21H26N2O3
IUPAC Name
methyl (15S,17S,19S)-15-ethyl-17-hydroxy-1,11-diazapentacyclo[9.6.2.02,7.08,18.015,19]nonadeca-2,4,6,8(18)-tetraene-17-carboxylate
Canonical SMILES
CC[C@@]12CCCN3[C@@H]1C4=C(CC3)C5=CC=CC=C5N4[C@](C2)(C(=O)OC)O
InChI
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
Cross-matching ID
PubChem CID
15376
ChEBI ID
CHEMBL9985
CAS Number
1617-90-9
UNII
996XVD0JHT
DrugBank ID
DB13374
TTD ID
D08UGJ
VARIDT ID
DR01180
INTEDE ID
DR1690
Drug-Molecule Activity Atlas (DMA)NEW Click to Jump to the Detailed DMA Information of This Drug
Drug Pharmacogenomic Perturbation (DPP)NEW Click to Jump to the Detailed DPP Information of This Drug
Drug ADMET Endpoint Profile (DAE)NEW Click to Jump to the Detailed DAE Information of This Drug

Molecular Interaction Atlas of This Drug


Drug-Metabolizing Enzyme (DME)
DME Name DME ID UniProt ID MOA REF
Cytochrome P450 3A4 (CYP3A4) DE4LYSA CP3A4_HUMAN Substrate [2]
Cytochrome P450 2E1 (CYP2E1) DEVDYN7 CP2E1_HUMAN Substrate [2]
Cytochrome P450 2D6 (CYP2D6) DECB0K3 CP2D6_HUMAN Substrate [2]
Cytochrome P450 1A2 (CYP1A2) DEJGDUW CP1A2_HUMAN Substrate [2]
Molecular Interaction Atlas (MIA) Jump to Detail Molecular Interaction Atlas of This Drug

References

1 URL: http://www.guidetopharmacology.org Nucleic Acids Res. 2015 Oct 12. pii: gkv1037. The IUPHAR/BPS Guide to PHARMACOLOGY in 2016: towards curated quantitative interactions between 1300 protein targets and 6000 ligands. (Ligand id: 349).
2 Characterization of human cytochrome P450 isoenzymes involved in the metabolism of vinorelbine. Fundam Clin Pharmacol. 2005 Oct;19(5):545-53.