Details of the Drug

General Information of Drug (ID: DMMC6H7)

Drug Name

Dopropidil

Synonyms

CERM-4205

Indication

Disease Entry	ICD 11	Status	REF
Angina pectoris	BA40	Discontinued in Phase 2	[1]
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Drug Type

Small molecular drug

Structure

3D MOL

2D MOL

#Ro5 Violations (Lipinski): 0

Molecular Weight (mw)

321.5

Logarithm of the Partition Coefficient (xlogp)

4.1

Rotatable Bond Count (rotbonds)

9

Hydrogen Bond Donor Count (hbonddonor)

0

Hydrogen Bond Acceptor Count (hbondacc)

3

Chemical Identifiers

Formula: C20H35NO2
IUPAC Name: 1-[1-(2-methylpropoxy)-3-(1-prop-1-ynylcyclohexyl)oxypropan-2-yl]pyrrolidine
Canonical SMILES: CC#CC1(CCCCC1)OCC(COCC(C)C)N2CCCC2
InChI: InChI=1S/C20H35NO2/c1-4-10-20(11-6-5-7-12-20)23-17-19(16-22-15-18(2)3)21-13-8-9-14-21/h18-19H,5-9,11-17H2,1-3H3
InChIKey: FITWYAUFKJXWPL-UHFFFAOYSA-N

Cross-matching ID

Molecular Interaction Atlas of This Drug

Drug Therapeutic Target (DTT)

DTT Name	DTT ID	UniProt ID	MOA	REF
Calcium channel unspecific (CaC)	TT5HONZ	NOUNIPROTAC	Modulator	[2]

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Molecular Interaction Atlas (MIA)

Jump to Detail Molecular Interaction Atlas of This Drug

References

1	Trusted, scientifically sound profiles of drug programs, clinical trials, safety reports, and company deals, written by scientists. Springer. 2015. Adis Insight (drug id 800000432)
2	Effects of bepridil and CERM 4205 (ORG 30701) on the relation between cardiac cycle length and QT duration in healthy volunteers. Am J Cardiol. 1990 Sep 1;66(5):636-41.