Details of the Drug

General Information of Drug (ID: DMPV0QN)

Drug Name
[1,2,4]triazolo[1,5-a]quinoxalin-4(5H)-one
Synonyms [1,2,4]triazolo[1,5-a]quinoxalin-4(5H)-one; 150454-83-4; ACMC-1C8D4; CHEMBL365930; CTK0G9579; DTXSID10435607; AKOS027398551
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) 186.17
Logarithm of the Partition Coefficient (xlogp) 0.9
Rotatable Bond Count (rotbonds) 0
Hydrogen Bond Donor Count (hbonddonor) 1
Hydrogen Bond Acceptor Count (hbondacc) 3
Chemical Identifiers
Formula
C9H6N4O
IUPAC Name
5H-[1,2,4]triazolo[1,5-a]quinoxalin-4-one
Canonical SMILES
C1=CC=C2C(=C1)NC(=O)C3=NC=NN23
InChI
InChI=1S/C9H6N4O/c14-9-8-10-5-11-13(8)7-4-2-1-3-6(7)12-9/h1-5H,(H,12,14)
InChIKey
OEIMIUHARCZWJY-UHFFFAOYSA-N
Cross-matching ID
PubChem CID
10103893
CAS Number
150454-83-4
TTD ID
D00HVX

Molecular Interaction Atlas of This Drug


Drug Therapeutic Target (DTT)
DTT Name DTT ID UniProt ID MOA REF
Adenosine A3 receptor (ADORA3) TTJFY5U AA3R_HUMAN Inhibitor [1]
Molecular Interaction Atlas (MIA) Jump to Detail Molecular Interaction Atlas of This Drug

References

1 1,2,4-Triazolo[1,5-a]quinoxaline as a versatile tool for the design of selective human A3 adenosine receptor antagonists: synthesis, biological eva... J Med Chem. 2005 Dec 15;48(25):7932-45.