General Information of the Compound
Compound ID
CP0134834
Compound Name
1-[4-[2-(4-methoxyphenyl)-1H-imidazo[4,5-b]pyridin-6-yl]thiophen-2-yl]ethanone
    Show/Hide
Structure
Formula
C19H15N3O2S
Molecular Weight
349.415
Canonical SMILES
COc1ccc(cc1)-c1nc2ncc(cc2[nH]1)-c1csc(c1)C(C)=O
    Show/Hide
InChI
InChI=1S/C19H15N3O2S/c1-11(23)17-8-14(10-25-17)13-7-16-19(20-9-13)22-18(21-16)12-3-5-15(24-2)6-4-12/h3-10H,1-2H3,(H,20,21,22)
    Show/Hide
InChIKey
GCGZPJLTXHNZIM-UHFFFAOYSA-N
Physicochemical Property
logP
4.5646
Rotatable Bonds
4
Heavy Atom Count
25
Polar Areas
67.87
Hydrogen Bond Donor Count
1
Hydrogen Bond Acceptor Count
5
Complexity
25

"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: 76329006
ChEMBL ID
CHEMBL3125734
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 = 1780 nM
   TI
   LI
   LO
   TS
Biochemical Assays
1 IC50 = 650 nM