General Information of the Compound
Compound ID
CP0432647
Compound Name
5,7-diphenyl-3H-imidazo[4,5-b]pyridin-2-ol
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Synonyms
5,7-diphenyl-3H-imidazo[4,5-b]pyridin-2-ol
BDBM50205282
CHEMBL374938
SCHEMBL14164225
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Structure
Formula
C18H13N3O
Molecular Weight
287.322
Canonical SMILES
O=c1[nH]c2nc(cc(-c3ccccc3)c2[nH]1)-c1ccccc1
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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)
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InChIKey
SHTZPAWLYJASHR-UHFFFAOYSA-N
Physicochemical Property
logP
3.5852
Rotatable Bonds
2
Heavy Atom Count
22
Polar Areas
61.54
Hydrogen Bond Donor Count
2
Hydrogen Bond Acceptor Count
2
Complexity
22

"RO5" indicates the cutoff set by lipinski's rule of five:

(1) Molecular weight less than 500 Dalton;

(2) xlogp less than 5;

(3) No more than 5 hbonddonor (Hydrogen Bond Donor Count);

(4) No more than 10 hbondacc (Hydrogen Bond Acceptor Count);

(5) No more than 10 rotbonds (Rotatable Bond Count).

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PubChem ID
CID: 11150373
SID: 85180766
ChEMBL ID
CHEMBL374938
Map of Molecular Bioactivity Related to the Compound
Map of Molecular Bioactivity Related to the Compound

Compound
Cell Line
Protein

Bioactivity Value:

<= 0.1 μM
> 0.1 μM and <= 10 μM
> 10 μM
Imprecise Activity
Table of Molecular Bioactivities Related to the Compound
Protein ID: PT00840, Adenosine receptor A1
Cell-based Assay
Cell Line ID Cell Line Name Cell Line Organism
CL000011 CHO Cricetulus griseus (Chinese hamster)  1
1
Ki = 8.6 nM
   TI
   LI
   LO
   TS
Protein ID: PT00862, Adenosine receptor A2a
Cell-based Assay
Cell Line ID Cell Line Name Cell Line Organism
CL000011 CHO Cricetulus griseus (Chinese hamster)  1
1
Ki = 192 nM
   TI
   LI
   LO
   TS
Protein ID: PT01279, Adenosine receptor A3
Cell-based Assay
Cell Line ID Cell Line Name Cell Line Organism
CL000011 CHO Cricetulus griseus (Chinese hamster)  1
1
Ki = 262 nM
   TI
   LI
   LO
   TS
Clinical Information about the Compound
Drug 1 ( 5,7-diphenyl-3H-imidazo[4,5-b]pyridin-2-ol )
Drug Name 5,7-diphenyl-3H-imidazo[4,5-b]pyridin-2-ol
Target(s)
Adenosine A1 receptor (ADORA1)
Inhibitor
Adenosine A2a receptor (ADORA2A)
Inhibitor
Adenosine A3 receptor (ADORA3)
Inhibitor