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
Structure
3D MOL 2D MOL
#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
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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]
Molecular Interaction Atlas (MIA) Jump to Detail Molecular Interaction Atlas of This Drug

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.