Details of the Drug

General Information of Drug (ID: DM3EAYN)

Drug Name
RESEQUINIL
Synonyms AVE-3933; SX-3933; Resequinil; 5-(3-Methoxyphenyl)-3-(5-methyl-1,2,4-oxadiazol-3-yl)-1,6-naphthyridin-2(1H)-one
Indication
Disease Entry ICD 11 Status REF
Epilepsy 8A60-8A68 Discontinued in Phase 2 [1]
Drug Type
Small molecular drug
Structure
3D MOL 2D MOL
#Ro5 Violations (Lipinski): 0 Molecular Weight (mw) 334.3
Logarithm of the Partition Coefficient (xlogp) 2.2
Rotatable Bond Count (rotbonds) 3
Hydrogen Bond Donor Count (hbonddonor) 1
Hydrogen Bond Acceptor Count (hbondacc) 6
Chemical Identifiers
Formula
C18H14N4O3
IUPAC Name
5-(3-methoxyphenyl)-3-(5-methyl-1,2,4-oxadiazol-3-yl)-1H-1,6-naphthyridin-2-one
Canonical SMILES
CC1=NC(=NO1)C2=CC3=C(C=CN=C3C4=CC(=CC=C4)OC)NC2=O
InChI
InChI=1S/C18H14N4O3/c1-10-20-17(22-25-10)14-9-13-15(21-18(14)23)6-7-19-16(13)11-4-3-5-12(8-11)24-2/h3-9H,1-2H3,(H,21,23)
InChIKey
JQOFKKWHXGQABB-UHFFFAOYSA-N
Cross-matching ID
PubChem CID
135418404
CAS Number
219846-31-8
TTD ID
D08LQD

Molecular Interaction Atlas of This Drug


Drug Therapeutic Target (DTT)
DTT Name DTT ID UniProt ID MOA REF
GABA(A) receptor gamma-3 (GABRG3) TTEX6LM GBRG3_HUMAN Agonist [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 800010724)
2 WO patent application no. 2010,0024,51, Naphthyridin derivatives.