Details of the Drug

General Information of Drug (ID: DMV10UH)

Drug Name
GNF-PF-4421
Synonyms
GNF-PF-4421; 85418-73-1; 6-Ethyl-4-hydroxyquinoline-3-carboxylic acid ethyl ester; AURORA 17945; ethyl 6-ethyl-4-oxo-1,4-dihydroquinoline-3-carboxylate; ethyl 6-ethyl-4-hydroxyquinoline-3-carboxylate; AC1LECY7; Oprea1_563397; Oprea1_408052; CHEMBL206540; SCHEMBL7291769; SCHEMBL11066821; CTK8F7131; DTXSID00350618; ZFOFJXFVCJQXBL-UHFFFAOYSA-N; MolPort-003-761-637; MolPort-000-653-080; ZINC9761169; STK791819; MMV007116; STK942448; 3-Quinolinecarboxylic acid, 6-ethyl-1,4-dihydro-4-oxo-, ethyl ester; AKOS002674049; AKOS001717599
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) 245.27
Logarithm of the Partition Coefficient (xlogp) 2.8
Rotatable Bond Count (rotbonds) 4
Hydrogen Bond Donor Count (hbonddonor) 1
Hydrogen Bond Acceptor Count (hbondacc) 4
Chemical Identifiers
Formula
C14H15NO3
IUPAC Name
ethyl 6-ethyl-4-oxo-1H-quinoline-3-carboxylate
Canonical SMILES
CCC1=CC2=C(C=C1)NC=C(C2=O)C(=O)OCC
InChI
InChI=1S/C14H15NO3/c1-3-9-5-6-12-10(7-9)13(16)11(8-15-12)14(17)18-4-2/h5-8H,3-4H2,1-2H3,(H,15,16)
InChIKey
ZFOFJXFVCJQXBL-UHFFFAOYSA-N
Cross-matching ID
PubChem CID
684193
CAS Number
85418-73-1
TTD ID
D0D2PJ

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.