General Information of the Compound
Compound ID
CP0465676
Compound Name
3-(3-Chloro-4-methylphenyl)-N-cyclopropyl-3H-imidazo[4,5-b]pyridine-2-carboxamide
    Show/Hide
Structure
Formula
C17H15ClN4O
Molecular Weight
326.787
Canonical SMILES
Cc1ccc(cc1Cl)-n1c(nc2cccnc12)C(=O)NC1CC1
    Show/Hide
InChI
InChI=1S/C17H15ClN4O/c1-10-4-7-12(9-13(10)18)22-15-14(3-2-8-19-15)21-16(22)17(23)20-11-5-6-11/h2-4,7-9,11H,5-6H2,1H3,(H,20,23)
    Show/Hide
InChIKey
WMHAFHPEFGQMEO-UHFFFAOYSA-N
Physicochemical Property
logP
3.27452
Rotatable Bonds
3
Heavy Atom Count
23
Polar Areas
59.81
Hydrogen Bond Donor Count
1
Hydrogen Bond Acceptor Count
4
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: 90343271
ChEMBL ID
CHEMBL4764122
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: PT01305, 3',5'-cyclic-AMP phosphodiesterase 4B
Cell-based Assay
Cell Line ID Cell Line Name Cell Line Organism
CL000013 Sf9 Spodoptera frugiperda (Fall armyworm)  1
1
IC50 = 800 nM
   TI
   LI
   LO
   TS
Protein ID: PT01538, 3',5'-cyclic-AMP phosphodiesterase 4D
Cell-based Assay
Cell Line ID Cell Line Name Cell Line Organism
CL000013 Sf9 Spodoptera frugiperda (Fall armyworm)  1
1
IC50 = 8200 nM
   TI
   LI
   LO
   TS