Details of the Drug

General Information of Drug (ID: DMKY6CU)

• Drug Name: CGS-9895
• Synonyms: Cgs-9895; 77779-50-1; Cgs 9895; MLS003171322; NSC373970; 2-(4-methoxy-phenyl)-1,2-dihydro-pyrazolo[4,3-c]quinolin-3-one; CHEMBL296335; 2-(4-Methoxyphenyl)-2,5-dihydro-3H-pyrazolo[4,3-c]quinolin-3-one; FTHGIXILGYJOBQ-UHFFFAOYSA-N; NSC 373970; AC1L2PJC; AC1Q4BZG; SCHEMBL3646887; SCHEMBL1466285; CHEMBL3144739; CTK5E4891; BDBM84956; AOB4750; MolPort-010-675-457; KSKRJZMRHSNRBX-UHFFFAOYSA-N; HMS3436H11; PDSP2_001747; PDSP1_001764; 2,5-Dihydro-2-(4-methoxyphenyl)-3H-pyrazolo(4,3-c)quinolin-3-one; AKOS021660772; ZINC101168346; NSC-373970

Indication

Disease Entry	ICD 11	Status	REF
Discovery agent	N.A.	Investigative	[1]

• Drug Type: Small molecular drug
• #Ro5 Violations (Lipinski): 0:
  Molecular Weight (mw); 291.3
  Logarithm of the Partition Coefficient (xlogp); 3.1
  Rotatable Bond Count (rotbonds); 2
  Hydrogen Bond Donor Count (hbonddonor); 1
  Hydrogen Bond Acceptor Count (hbondacc); 4
• Chemical Identifiers:
  Formula: C17H13N3O2
  IUPAC Name: 2-(4-methoxyphenyl)-1H-pyrazolo[4,3-c]quinolin-3-one
  Canonical SMILES: COC1=CC=C(C=C1)N2C(=O)C3=C(N2)C4=CC=CC=C4N=C3
  InChI: InChI=1S/C17H13N3O2/c1-22-12-8-6-11(7-9-12)20-17(21)14-10-18-15-5-3-2-4-13(15)16(14)19-20/h2-10,19H,1H3
  InChIKey: FTHGIXILGYJOBQ-UHFFFAOYSA-N
• Cross-matching ID:
  PubChem CID: 100812
  CAS Number: 77779-50-1
  TTD ID: D0KS2X

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 gamma-2 (GABRG2)	TT06RH5	GBRG2_HUMAN	Inhibitor	[1]
Gamma-aminobutyric acid receptor (GAR)	TTNJYV2	NOUNIPROTAC	Inhibitor	[1]

References

• [1] 1,3-Diarylpyrazolo[4,5-c]- and -[5,4-c]quinolin-4-ones. 4. Synthesis and specific inhibition of benzodiazepine receptor binding. J Med Chem. 1987 Oct;30(10):1737-42.