Details of the Drug

General Information of Drug (ID: DM4DSE7)

Drug Name
CGS-13767
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) 262.27
Logarithm of the Partition Coefficient (xlogp) 2.7
Rotatable Bond Count (rotbonds) 1
Hydrogen Bond Donor Count (hbonddonor) 1
Hydrogen Bond Acceptor Count (hbondacc) 3
Chemical Identifiers
Formula
C15H10N4O
IUPAC Name
2-phenyl-6H-[1,2,4]triazolo[1,5-c]quinazolin-5-one
Canonical SMILES
C1=CC=C(C=C1)C2=NN3C(=N2)C4=CC=CC=C4NC3=O
InChI
InChI=1S/C15H10N4O/c20-15-16-12-9-5-4-8-11(12)14-17-13(18-19(14)15)10-6-2-1-3-7-10/h1-9H,(H,16,20)
InChIKey
AXPGZURVLRWNBR-UHFFFAOYSA-N
Cross-matching ID
PubChem CID
135465884
ChEBI ID
CHEMBL330116
TTD ID
D07QGN
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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]
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References

1 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.