Details of the Drug

General Information of Drug (ID: DM39PQI)

• Drug Name: CGS-9896
• Synonyms: Cgs-9896; Cgs 9896; 77779-36-3; UNII-86PWQ4PVN0; 86PWQ4PVN0; AC1Q3J9C; AC1L337H; SCHEMBL7308514; AC1Q3T13; 2-(4-chlorophenyl)-1H-pyrazolo[4,3-c]quinolin-3-one; SCHEMBL17236324; CTK5E4889; BDBM84957; AOB4759; MolPort-009-714-150; CQINXWYVIOMBEI-UHFFFAOYSA-N; PDSP2_001748; 2-(4-chlorophenyl)-1,2-dihydro-3h-pyrazolo[4,3-c]quinolin-3-one; PDSP1_001765; ZINC100367629; AKOS021973584; MCULE-9708849911; A10022; 2-(p-chlorophenyl)-pyrazolo[4,3-c]quinolin-3(5H)-one; F3406-4901; 2-(4-chlorophenyl)-1H-pyrazolo[4,5-c]quinolin-3-one
• Drug Type: Small molecular drug
• #Ro5 Violations (Lipinski): 0:
  Molecular Weight (mw); 295.72
  Logarithm of the Partition Coefficient (xlogp); 3.8
  Rotatable Bond Count (rotbonds); 1
  Hydrogen Bond Donor Count (hbonddonor); 1
  Hydrogen Bond Acceptor Count (hbondacc); 3
• Chemical Identifiers:
  Formula: C16H10ClN3O
  IUPAC Name: 2-(4-chlorophenyl)-1H-pyrazolo[4,3-c]quinolin-3-one
  Canonical SMILES: C1=CC=C2C(=C1)C3=C(C=N2)C(=O)N(N3)C4=CC=C(C=C4)Cl
  InChI: InChI=1S/C16H10ClN3O/c17-10-5-7-11(8-6-10)20-16(21)13-9-18-14-4-2-1-3-12(14)15(13)19-20/h1-9,19H
  InChIKey: QCBUAKLOWCOUCR-UHFFFAOYSA-N
• Cross-matching ID:
  PubChem CID: 108030
  CAS Number: 77779-36-3
  TTD ID: D0V4GI

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] Synthesis, pharmacology, and structure-activity relationships of novel imidazolones and pyrrolones as modulators of GABAA receptors. J Med Chem. 2006 Mar 23;49(6):1855-66.