General Information of Drug (ID: DMGVI08)

Drug Name
6-ethyl-3-propoxycarbonyl-4-quinolone
Synonyms CHEMBL206068
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) 259.3
Logarithm of the Partition Coefficient (xlogp) 3.3
Rotatable Bond Count (rotbonds) 5
Hydrogen Bond Donor Count (hbonddonor) 1
Hydrogen Bond Acceptor Count (hbondacc) 4
Chemical Identifiers
Formula
C15H17NO3
IUPAC Name
propyl 6-ethyl-4-oxo-1H-quinoline-3-carboxylate
Canonical SMILES
CCCOC(=O)C1=CNC2=C(C1=O)C=C(C=C2)CC
InChI
InChI=1S/C15H17NO3/c1-3-7-19-15(18)12-9-16-13-6-5-10(4-2)8-11(13)14(12)17/h5-6,8-9H,3-4,7H2,1-2H3,(H,16,17)
InChIKey
RSBPUSKIUBSGGR-UHFFFAOYSA-N
Cross-matching ID
PubChem CID
11715856
TTD ID
D03FBS

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.