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
Structure
3D MOL 2D MOL
#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
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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 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.