General Information of the Compound
Compound ID
CP0483654
Compound Name
1,6-Dimethyl-2-[1,2,3]triazol-2-yl-1H-imidazo[4,5-c]pyridin-4-ylamine
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Structure
Formula
C10H11N7
Molecular Weight
229.247
Canonical SMILES
Cc1cc2n(C)c(nc2c(N)n1)-n1nccn1
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InChI
InChI=1S/C10H11N7/c1-6-5-7-8(9(11)14-6)15-10(16(7)2)17-12-3-4-13-17/h3-5H,1-2H3,(H2,11,14)
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InChIKey
HQJPRTMRYHJULG-UHFFFAOYSA-N
Physicochemical Property
logP
0.43962
Rotatable Bonds
1
Heavy Atom Count
17
Polar Areas
87.44
Hydrogen Bond Donor Count
1
Hydrogen Bond Acceptor Count
7
Complexity
17

"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: 11586663
SID: 16689093
ChEMBL ID
CHEMBL197682
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 = 340 nM
   TI
   LI
   LO
   TS
Protein ID: PT00862, Adenosine receptor A2a
Cell-based Assay
Cell Line ID Cell Line Name Cell Line Organism
CL000006 HEK293 Homo sapiens (Human)  1
1
Ki = 120 nM
   TI
   LI
   LO
   TS
Protein ID: PT01278, Adenosine receptor A2b
Cell-based Assay
Cell Line ID Cell Line Name Cell Line Organism
CL000006 HEK293 Homo sapiens (Human)  1
1
Ki = 140 nM
   TI
   LI
   LO
   TS