Details of the Drug

General Information of Drug (ID: DM17GIV)

• Drug Name: GNF-PF-3645
• Synonyms: GNF-PF-3645; ethyl 6-isopropyl-4-oxo-1,4-dihydroquinoline-3-carboxylate; ethyl 4-hydroxy-6-isopropyl-3-quinolinecarboxylate; AC1LEPYU; Oprea1_718373; CHEMBL202969; SCHEMBL11065820; MolPort-002-693-403; ZINC9761170; STK040682; AKOS005383459; MCULE-2719488867; ST085537; 64321-61-5; EU-0017663; CS-0061597; ethyl 4-hydroxy-6-isopropylquinoline-3-carboxylate; SR-01000511952; AG-670/08515048; SR-01000511952-1; ethyl 4-hydroxy-6-(propan-2-yl)quinoline-3-carboxylate; ethyl 4-oxo-6-propan-2-yl-1H-quinoline-3-carboxylate; ethyl 4-hydroxy-

Indication

Disease Entry	ICD 11	Status	REF
Discovery agent	N.A.	Investigative	[1]

• Drug Type: Small molecular drug
• #Ro5 Violations (Lipinski): 0:
  Molecular Weight (mw); 259.3
  Logarithm of the Partition Coefficient (xlogp); 3.1
  Rotatable Bond Count (rotbonds); 4
  Hydrogen Bond Donor Count (hbonddonor); 1
  Hydrogen Bond Acceptor Count (hbondacc); 4
• Chemical Identifiers:
  Formula: C15H17NO3
  IUPAC Name: ethyl 4-oxo-6-propan-2-yl-1H-quinoline-3-carboxylate
  Canonical SMILES: CCOC(=O)C1=CNC2=C(C1=O)C=C(C=C2)C(C)C
  InChI: InChI=1S/C15H17NO3/c1-4-19-15(18)12-8-16-13-6-5-10(9(2)3)7-11(13)14(12)17/h5-9H,4H2,1-3H3,(H,16,17)
  InChIKey: JBFFEVKDAYLOKF-UHFFFAOYSA-N
• Cross-matching ID:
  PubChem CID: 690399
  TTD ID: D0W5IP

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]

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.