General Information of the Compound
Compound ID
CP0376675
Compound Name
3-[3-(4-aminophenyl)imidazo[4,5-b]pyridin-2-yl]pyridin-2-amine
    Show/Hide
Structure
Formula
C17H14N6
Molecular Weight
302.341
Canonical SMILES
Nc1ccc(cc1)-n1c(nc2cccnc12)-c1cccnc1N
    Show/Hide
InChI
InChI=1S/C17H14N6/c18-11-5-7-12(8-6-11)23-16(13-3-1-9-20-15(13)19)22-14-4-2-10-21-17(14)23/h1-10H,18H2,(H2,19,20)
    Show/Hide
InChIKey
KNEPJZSAROVRPH-UHFFFAOYSA-N
Physicochemical Property
logP
2.6469
Rotatable Bonds
2
Heavy Atom Count
23
Polar Areas
95.64
Hydrogen Bond Donor Count
2
Hydrogen Bond Acceptor Count
6
Complexity
23

"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).

    Show/Hide
Click to Show/Hide the External Link(s) of This Compound
PubChem ID
CID: 58345084
ChEMBL ID
CHEMBL2177816
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: PT00845, RAC-alpha serine/threonine-protein kinase
Cell-based Assay
Cell Line ID Cell Line Name Cell Line Organism
CL000013 Sf9 Spodoptera frugiperda (Fall armyworm)  1
1
IC50 = 740 nM
   TI
   LI
   LO
   TS