General Information of Drug (ID: DM7HNPJ)

Drug Name
6-benzyl-3-propylaminocarbonyl-4-quinolone
Synonyms CHEMBL380906
Indication
Disease Entry ICD 11 Status REF
Discovery agent N.A. Investigative [1]
Drug Type
Small molecular drug
Structure
3D MOL 2D MOL
#Ro5 Violations (Lipinski): 0 Molecular Weight (mw) 320.4
Logarithm of the Partition Coefficient (xlogp) 4.4
Rotatable Bond Count (rotbonds) 5
Hydrogen Bond Donor Count (hbonddonor) 2
Hydrogen Bond Acceptor Count (hbondacc) 3
Chemical Identifiers
Formula
C20H20N2O2
IUPAC Name
6-benzyl-4-oxo-N-propyl-1H-quinoline-3-carboxamide
Canonical SMILES
CCCNC(=O)C1=CNC2=C(C1=O)C=C(C=C2)CC3=CC=CC=C3
InChI
InChI=1S/C20H20N2O2/c1-2-10-21-20(24)17-13-22-18-9-8-15(12-16(18)19(17)23)11-14-6-4-3-5-7-14/h3-9,12-13H,2,10-11H2,1H3,(H,21,24)(H,22,23)
InChIKey
RZALWHUVJLYKIZ-UHFFFAOYSA-N
Cross-matching ID
PubChem CID
44409492
TTD ID
D0B4CQ

Molecular Interaction Atlas of This Drug


Drug Therapeutic Target (DTT)
DTT Name DTT ID UniProt ID MOA REF
GABA(A) receptor alpha-1 (GABRA1) TT1MPAY GBRA1_HUMAN Inhibitor [1]
GABA(A) receptor beta-2 (GABRB2) TTZA1NY GBRB2_HUMAN Inhibitor [1]
GABA(A) receptor gamma-2 (GABRG2) TT06RH5 GBRG2_HUMAN Inhibitor [1]
Gamma-aminobutyric acid receptor (GAR) TTNJYV2 NOUNIPROTAC Inhibitor [1]
Molecular Interaction Atlas (MIA) Jump to Detail Molecular Interaction Atlas of This Drug

References

1 4-quinolone derivatives: high-affinity ligands at the benzodiazepine site of brain GABA A receptors. synthesis, pharmacology, and pharmacophore mod... J Med Chem. 2006 Apr 20;49(8):2526-33.