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], [2]
Drug Type
Small molecular drug
Structure
3D MOL 2D MOL
#Ro5 Violations (Lipinski): 0 Molecular Weight (mw) 354.4
Topological Polar Surface Area (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
CHEBI:9985
CAS Number
1617-90-9
DrugBank ID
DB13374
TTD ID
D08UGJ
VARIDT ID
DR01180
INTEDE ID
DR1690

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 [3]
Cytochrome P450 2E1 (CYP2E1) DEVDYN7 CP2E1_HUMAN Substrate [3]
Cytochrome P450 2D6 (CYP2D6) DECB0K3 CP2D6_HUMAN Substrate [3]
Cytochrome P450 1A2 (CYP1A2) DEJGDUW CP1A2_HUMAN Substrate [3]
Molecular Interaction Atlas (MIA) Jump to Detail Molecular Interaction Atlas of This Drug

References

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