Details of the Drug

General Information of Drug (ID: DMYM8OG)

Drug Name
OPC-28326
Synonyms N-[2,6-Dimethyl-4-[4-[N-methyl-N-(2-phenylethyl)amino]piperidin-1-ylcarbonyl]phenyl]propionamide hydrochloride monohydrate
Indication
Disease Entry ICD 11 Status REF
Peripheral vascular disease BD4Z Discontinued in Phase 2 [1]
Drug Type
Small molecular drug
Structure
3D MOL 2D MOL
#Ro5 Violations (Lipinski): 0 Molecular Weight (mw) 421.6
Logarithm of the Partition Coefficient (xlogp) 4.3
Rotatable Bond Count (rotbonds) 7
Hydrogen Bond Donor Count (hbonddonor) 1
Hydrogen Bond Acceptor Count (hbondacc) 3
Chemical Identifiers
Formula
C26H35N3O2
IUPAC Name
N-[2,6-dimethyl-4-[4-[methyl(2-phenylethyl)amino]piperidine-1-carbonyl]phenyl]propanamide
Canonical SMILES
CCC(=O)NC1=C(C=C(C=C1C)C(=O)N2CCC(CC2)N(C)CCC3=CC=CC=C3)C
InChI
InChI=1S/C26H35N3O2/c1-5-24(30)27-25-19(2)17-22(18-20(25)3)26(31)29-15-12-23(13-16-29)28(4)14-11-21-9-7-6-8-10-21/h6-10,17-18,23H,5,11-16H2,1-4H3,(H,27,30)
InChIKey
BESKMDLUOAVUJF-UHFFFAOYSA-N
Cross-matching ID
PubChem CID
219020
UNII
FR0M0E7AZM
DrugBank ID
DB05461
TTD ID
D06WJI

Molecular Interaction Atlas of This Drug


Drug Therapeutic Target (DTT)
DTT Name DTT ID UniProt ID MOA REF
Adrenergic receptor alpha-1D (ADRA1D) TT34BHT ADA1D_HUMAN Antagonist [2]
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 800011559)
2 Mechanisms of action of OPC-28326, a selective hindlimb vasodilator. J Pharmacol Exp Ther. 1999 Nov;291(2):604-11.