General Information of the Compound
Compound ID
CP0340592
Compound Name
2-(4-chlorophenyl)-N-[2-[4-(methanesulfonamido)phenyl]ethyl]-1H-imidazo[4,5-b]pyridine-7-carboxamide
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Structure
Formula
C22H20ClN5O3S
Molecular Weight
469.954
Canonical SMILES
CS(=O)(=O)Nc1ccc(CCNC(=O)c2ccnc3nc([nH]c23)-c2ccc(Cl)cc2)cc1
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InChI
InChI=1S/C22H20ClN5O3S/c1-32(30,31)28-17-8-2-14(3-9-17)10-12-25-22(29)18-11-13-24-21-19(18)26-20(27-21)15-4-6-16(23)7-5-15/h2-9,11,13,28H,10,12H2,1H3,(H,25,29)(H,24,26,27)
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InChIKey
GNCHZTYUIQUKNM-UHFFFAOYSA-N
Physicochemical Property
logP
3.6223
Rotatable Bonds
7
Heavy Atom Count
32
Polar Areas
116.84
Hydrogen Bond Donor Count
3
Hydrogen Bond Acceptor Count
5
Complexity
32

"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: 57766931
ChEMBL ID
CHEMBL2048669
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: PT00962, Glycogen synthase kinase-3 beta
Cell-based Assay
Cell Line ID Cell Line Name Cell Line Organism
CL000264 RD Homo sapiens (Human)  1
1
EC50 = 300 nM
   TI
   LI
   LO
   TS
Biochemical Assays
1 IC50 = 10 nM