General Information of Drug (ID: DMK0MJP)

Drug Name
Odelepran
Synonyms Odelepran hydrochloride; LY2196044 HCl; LY-2196044; OpRA (alcohol dependence), Eli Lilly; OpRA II (alcoholism), Eli Lilly; Opioid receptor antagonist (alcoholism), Eli Lilly
Indication
Disease Entry ICD 11 Status REF
Alcohol dependence 6C40.2 Phase 2 [1]
Drug Type
Small molecular drug
Structure
3D MOL 2D MOL
#Ro5 Violations (Lipinski): 0 Molecular Weight (mw) 373.4
Logarithm of the Partition Coefficient (xlogp) 2
Rotatable Bond Count (rotbonds) 8
Hydrogen Bond Donor Count (hbonddonor) 2
Hydrogen Bond Acceptor Count (hbondacc) 6
Chemical Identifiers
Formula
C20H24FN3O3
IUPAC Name
6-[2-fluoro-4-[[2-(oxan-4-yl)ethylamino]methyl]phenoxy]pyridine-3-carboxamide
Canonical SMILES
C1COCCC1CCNCC2=CC(=C(C=C2)OC3=NC=C(C=C3)C(=O)N)F
InChI
InChI=1S/C20H24FN3O3/c21-17-11-15(12-23-8-5-14-6-9-26-10-7-14)1-3-18(17)27-19-4-2-16(13-24-19)20(22)25/h1-4,11,13-14,23H,5-10,12H2,(H2,22,25)
InChIKey
QWNDOCKIKKQJNN-UHFFFAOYSA-N
Cross-matching ID
PubChem CID
10457387
CAS Number
676501-25-0
UNII
4VZT670SD9
DrugBank ID
DB12585
TTD ID
D0S6SQ

Molecular Interaction Atlas of This Drug


Drug Therapeutic Target (DTT)
DTT Name DTT ID UniProt ID MOA REF
Opioid receptor (OPR) TTN4QDT NOUNIPROTAC Antagonist [2]
Molecular Interaction Atlas (MIA) Jump to Detail Molecular Interaction Atlas of This Drug

References

1 ClinicalTrials.gov (NCT00804570) A Study for the Treatment of Alcohol Dependence.. U.S. National Institutes of Health.
2 A phase 2, placebo-controlled study of the opioid receptor antagonist LY2196044 for the treatment of alcohol dependence. Alcohol Clin Exp Res. 2014 Feb;38(2):511-20.