Details of the Drug

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]
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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
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]

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Molecular Interaction Atlas (MIA)

MIA Detail

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.