Details of the Drug

General Information of Drug (ID: DM4TIXY)

Drug Name
5,7-diphenyl-3H-imidazo[4,5-b]pyridin-2-ol
Synonyms CHEMBL374938; 5,7-diphenyl-3H-imidazo[4,5-b]pyridin-2-ol; SCHEMBL14164225; BDBM50205282
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) 287.3
Logarithm of the Partition Coefficient (xlogp) 3.1
Rotatable Bond Count (rotbonds) 2
Hydrogen Bond Donor Count (hbonddonor) 2
Hydrogen Bond Acceptor Count (hbondacc) 2
Chemical Identifiers
Formula
C18H13N3O
IUPAC Name
5,7-diphenyl-1,3-dihydroimidazo[4,5-b]pyridin-2-one
Canonical SMILES
C1=CC=C(C=C1)C2=CC(=NC3=C2NC(=O)N3)C4=CC=CC=C4
InChI
InChI=1S/C18H13N3O/c22-18-20-16-14(12-7-3-1-4-8-12)11-15(19-17(16)21-18)13-9-5-2-6-10-13/h1-11H,(H2,19,20,21,22)
InChIKey
SHTZPAWLYJASHR-UHFFFAOYSA-N
Cross-matching ID
PubChem CID
11150373
ChEBI ID
CHEMBL374938
TTD ID
D0ZW9L
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Molecular Interaction Atlas of This Drug


Drug Therapeutic Target (DTT)
DTT Name DTT ID UniProt ID MOA REF
Adenosine A1 receptor (ADORA1) TTK25J1 AA1R_HUMAN Inhibitor [1]
Adenosine A2a receptor (ADORA2A) TTM2AOE AA2AR_HUMAN Inhibitor [1]
Adenosine A3 receptor (ADORA3) TTJFY5U AA3R_HUMAN Inhibitor [1]
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References

1 2,6,8-trisubstituted 1-deazapurines as adenosine receptor antagonists. J Med Chem. 2007 Feb 22;50(4):828-34.