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]
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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)

Hydrogen Bond Donor Count (hbonddonor)

Hydrogen Bond Acceptor Count (hbondacc)

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	[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]

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Drug Off-Target (DOT)

DOT Name	DOT ID	UniProt ID	Interaction	REF
Potassium voltage-gated channel subfamily H member 2 (KCNH2)	OTZX881H	KCNH2_HUMAN	Gene/Protein Processing	[3]

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Molecular Interaction Atlas (MIA)

MIA Detail

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.
3	Why are most phospholipidosis inducers also hERG blockers?. Arch Toxicol. 2017 Dec;91(12):3885-3895. doi: 10.1007/s00204-017-1995-9. Epub 2017 May 27.