General Information of the Compound
Compound ID
CP0406417
Compound Name
4-[2-(4-methoxyphenyl)-1H-imidazo[4,5-b]pyridin-6-yl]-N-(2-methylbutyl)thiophene-2-carboxamide
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Structure
Formula
C23H24N4O2S
Molecular Weight
420.538
Canonical SMILES
CCC(C)CNC(=O)c1cc(cs1)-c1cnc2nc([nH]c2c1)-c1ccc(OC)cc1
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InChI
InChI=1S/C23H24N4O2S/c1-4-14(2)11-25-23(28)20-10-17(13-30-20)16-9-19-22(24-12-16)27-21(26-19)15-5-7-18(29-3)8-6-15/h5-10,12-14H,4,11H2,1-3H3,(H,25,28)(H,24,26,27)
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InChIKey
WJOZIBBXHBCESC-UHFFFAOYSA-N
Physicochemical Property
logP
5.1379
Rotatable Bonds
7
Heavy Atom Count
30
Polar Areas
79.9
Hydrogen Bond Donor Count
2
Hydrogen Bond Acceptor Count
5
Complexity
30

"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: 76325462
ChEMBL ID
CHEMBL3125729
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: PT01682, Serine/threonine-protein kinase TBK1
Cell-based Assay
Cell Line ID Cell Line Name Cell Line Organism
CL000006 HEK293 Homo sapiens (Human)  1
1
IC50 = 89 nM
   TI
   LI
   LO
   TS
Biochemical Assays
1 IC50 = 219 nM