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]
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
Drug-Molecule Activity Atlas (DMA)NEW Click to Jump to the Detailed DMA Information of This Drug

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]
Molecular Interaction Atlas (MIA) 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).