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
  ChEBI ID: CHEMBL3144739
  CAS Number: 77779-50-1
  TTD ID: D0KS2X
• 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	[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.