Details of the Drug

General Information of Drug (ID: DMLP68J)

Drug Name

[3H]CGS8216

Synonyms

2-Phenylpyrazolo(4,3-c)quinolin-3(5H)-one; Cgs 8216; CGS-8216; 77779-60-3; 2-phenylpyrazolo(4,3-c)quinolin-3(5H)-one; BRN 4257286; 2-phenyl-1,2-dihydro-3h-pyrazolo[4,3-c]quinolin-3-one; 2,5-Dihydro-2-phenyl-3H-pyrazolo(4,3-c)quinolin-3-one; 3H-Pyrazolo(4,3-c)quinolin-3-one, 2,5-dihydro-2-phenyl-; 2-phenyl-1H-pyrazolo[4,5-c]quinolin-3-one; 2,5-DIHYDRO-2-PHENYL-3H-PYRAZOLO[4,3-C]QUINOLIN-3-ONE; AC1Q6FQG; AC1Q6NJI; AC1L2XPQ; 2-phenyl-1H-pyrazolo[4,3-c]quinolin-3-one; 2-phenyl-2H-pyrazolo[4,3-c]quinolin-3(5H)-one; GTPL4366; GTPL4156; SCHEMBL1466280

Indication

Disease Entry	ICD 11	Status	REF
Inflammation	1A00-CA43.1	Investigative	[1]
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Drug Type

Small molecular drug

Structure

3D MOL

2D MOL

#Ro5 Violations (Lipinski): 0

Molecular Weight (mw)

261.279

Logarithm of the Partition Coefficient (xlogp)

3.2

Rotatable Bond Count (rotbonds)

1

Hydrogen Bond Donor Count (hbonddonor)

1

Hydrogen Bond Acceptor Count (hbondacc)

3

Chemical Identifiers

Formula: C16H11N3O
IUPAC Name: 2-phenyl-1H-pyrazolo[4,3-c]quinolin-3-one
Canonical SMILES: C1=CC=C(C=C1)N2C(=O)C3=C(N2)C4=CC=CC=C4N=C3
InChI: InChI=1S/C16H11N3O/c20-16-13-10-17-14-9-5-4-8-12(14)15(13)18-19(16)11-6-2-1-3-7-11/h1-10,18H
InChIKey: XTYGFVVANLMBHE-UHFFFAOYSA-N

Cross-matching ID

PubChem CID: 104916
CAS Number: 77779-60-3
TTD ID: D0M9RM

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	[2]
GABA(A) receptor alpha-2 (GABRA2)	TTBMV1G	GBRA2_HUMAN	Modulator (allosteric modulator)	[3]
GABA(A) receptor alpha-3 (GABRA3)	TT37EDJ	GBRA3_HUMAN	Modulator (allosteric modulator)	[4]
GABA(A) receptor alpha-5 (GABRA5)	TTNZPQ1	GBRA5_HUMAN	Modulator (allosteric modulator)	[5]
GABA(A) receptor beta-2 (GABRB2)	TTZA1NY	GBRB2_HUMAN	Inhibitor	[1]
GABA(A) receptor gamma-2 (GABRG2)	TT06RH5	GBRG2_HUMAN	Inhibitor	[2]
GABA(A) receptor gamma-3 (GABRG3)	TTEX6LM	GBRG3_HUMAN	Modulator (allosteric modulator)	[6]
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	Substituted 3-(2-benzoxazyl)-benzimidazol-2-(1H)-ones: a new class of GABA(A) brain receptor ligands. Bioorg Med Chem Lett. 2000 Dec 18;10(24):2723-6.
2	Synthesis and benzodiazepine binding activity of a series of novel [1,2,4]triazolo[1,5-c]quinazolin-5(6H)-ones. J Med Chem. 1991 Jan;34(1):281-90.
3	URL: http://www.guidetopharmacology.org Nucleic Acids Res. 2015 Oct 12. pii: gkv1037. The IUPHAR/BPS Guide to PHARMACOLOGY in 2016: towards curated quantitative interactions between 1300 protein targets and 6000 ligands. (Target id: 405).
4	URL: http://www.guidetopharmacology.org Nucleic Acids Res. 2015 Oct 12. pii: gkv1037. The IUPHAR/BPS Guide to PHARMACOLOGY in 2016: towards curated quantitative interactions between 1300 protein targets and 6000 ligands. (Target id: 406).
5	URL: http://www.guidetopharmacology.org Nucleic Acids Res. 2015 Oct 12. pii: gkv1037. The IUPHAR/BPS Guide to PHARMACOLOGY in 2016: towards curated quantitative interactions between 1300 protein targets and 6000 ligands. (Target id: 408).
6	URL: http://www.guidetopharmacology.org Nucleic Acids Res. 2015 Oct 12. pii: gkv1037. The IUPHAR/BPS Guide to PHARMACOLOGY in 2016: towards curated quantitative interactions between 1300 protein targets and 6000 ligands. (Target id: 415).