Details of the Drug

General Information of Drug (ID: DMMZJY3)

Drug Name

CGS-17867A

Synonyms

Cgs-17867A; CHEMBL116842; 2-(4-Chloro-phenyl)-2,5,6,7,8,9-hexahydro-pyrazolo[4,3-c]quinolin-3-one; AC1L2T4E; SCHEMBL2287621; OJVURBSORBSWLX-UHFFFAOYSA-N; CGS-17867; BDBM50148320; 2-p-Tolyl-2,5,6,7,8,9-hexahydro-pyrazolo[4,3-c]quinolin-3-one; 2-(4-chlorophenyl)-6,7,8,9-tetrahydro-1H-pyrazolo[4,3-c]quinolin-3-one

Indication

Disease Entry	ICD 11	Status	REF
Alcohol dependence	6C40.2	Terminated	[1]
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Drug Type

Small molecular drug

Structure

3D MOL

2D MOL

#Ro5 Violations (Lipinski): 0

Molecular Weight (mw)

299.75

Logarithm of the Partition Coefficient (xlogp)

3.7

Rotatable Bond Count (rotbonds)

1

Hydrogen Bond Donor Count (hbonddonor)

1

Hydrogen Bond Acceptor Count (hbondacc)

3

Chemical Identifiers

Formula: C16H14ClN3O
IUPAC Name: 2-(4-chlorophenyl)-6,7,8,9-tetrahydro-1H-pyrazolo[4,3-c]quinolin-3-one
Canonical SMILES: C1CCC2=NC=C3C(=C2C1)NN(C3=O)C4=CC=C(C=C4)Cl
InChI: InChI=1S/C16H14ClN3O/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/h5-9,19H,1-4H2
InChIKey: NZEIZTTWQRQFFV-UHFFFAOYSA-N

Cross-matching ID

PubChem CID: 128064
TTD ID: D06BFP

Molecular Interaction Atlas of This Drug

Drug Therapeutic Target (DTT)

DTT Name	DTT ID	UniProt ID	MOA	REF
GABA(A) receptor alpha-2 (GABRA2)	TTBMV1G	GBRA2_HUMAN	Inhibitor	[2]
GABA(A) receptor gamma-2 (GABRG2)	TT06RH5	GBRG2_HUMAN	Inhibitor	[2]
Gamma-aminobutyric acid receptor (GAR)	TTNJYV2	NOUNIPROTAC	Inhibitor	[2]

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Molecular Interaction Atlas (MIA)

MIA Detail

Jump to Detail Molecular Interaction Atlas of This Drug

References

1	Trusted, scientifically sound profiles of drug programs, clinical trials, safety reports, and company deals, written by scientists. Springer. 2015. Adis Insight (drug id 800000696)
2	2,5-Dihydropyrazolo[4,3-c]pyridin-3-ones: functionally selective benzodiazepine binding site ligands on the GABAA receptor. Bioorg Med Chem Lett. 2004 Jul 5;14(13):3441-4.