Details of the Drug

General Information of Drug (ID: DMQT6AH)

• Drug Name: U-89267
• Synonyms: CHEMBL142750; U-89267; SCHEMBL8883956; BDBM50040717; (S)-1-(5-cyclopropyl-1,2,4-oxadiazol-3-yl)-10,11,12,12a-tetrahydroimidazo[1,5-a]pyrrolo[2,1-c]quinoxalin-10-one; 1-(5-cyclopropyl-1,2,4-oxadiazol-3-yl)-10,11,12,12a-tetrahydroimidazo[1,5-a]pyrrolo[2,1-c]quinoxalin-10-one

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); 333.3
  Logarithm of the Partition Coefficient (xlogp); 1.2
  Rotatable Bond Count (rotbonds); 2
  Hydrogen Bond Donor Count (hbonddonor); 0
  Hydrogen Bond Acceptor Count (hbondacc); 5
• Chemical Identifiers:
  Formula: C18H15N5O2
  IUPAC Name: 5-(5-cyclopropyl-1,2,4-oxadiazol-3-yl)-2,4,11-triazatetracyclo[10.4.0.02,6.07,11]hexadeca-1(16),3,5,12,14-pentaen-10-one
  Canonical SMILES: C1CC1C2=NC(=NO2)C3=C4C5CCC(=O)N5C6=CC=CC=C6N4C=N3
  InChI: InChI=1S/C18H15N5O2/c24-14-8-7-13-16-15(17-20-18(25-21-17)10-5-6-10)19-9-22(16)11-3-1-2-4-12(11)23(13)14/h1-4,9-10,13H,5-8H2
  InChIKey: KIGZWNHARYMTNM-UHFFFAOYSA-N
• Cross-matching ID:
  PubChem CID: 9840599
  TTD ID: D0KS3X

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 beta-2 (GABRB2)	TTZA1NY	GBRB2_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] Antagonist, partial agonist, and full agonist imidazo[1,5-a]quinoxaline amides and carbamates acting through the GABAA/benzodiazepine receptor. J Med Chem. 1994 Mar 18;37(6):758-68.