General Information of the Compound
Compound ID
CP0139220
Compound Name
7-[3-(cyclobutanecarbonylamino)propylamino]-2-[4-(2-piperidin-1-ylethoxy)phenyl]-1H-imidazo[4,5-b]pyridine-6-carboxamide
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Structure
Formula
C28H37N7O3
Molecular Weight
519.65
Canonical SMILES
NC(=O)c1cnc2nc([nH]c2c1NCCCNC(=O)C1CCC1)-c1ccc(OCCN2CCCCC2)cc1
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InChI
InChI=1S/C28H37N7O3/c29-25(36)22-18-32-27-24(23(22)30-12-5-13-31-28(37)20-6-4-7-20)33-26(34-27)19-8-10-21(11-9-19)38-17-16-35-14-2-1-3-15-35/h8-11,18,20H,1-7,12-17H2,(H2,29,36)(H,31,37)(H2,30,32,33,34)
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InChIKey
IUDBEIQBJIEKNX-UHFFFAOYSA-N
Physicochemical Property
logP
3.3068
Rotatable Bonds
12
Heavy Atom Count
38
Polar Areas
138.26
Hydrogen Bond Donor Count
4
Hydrogen Bond Acceptor Count
7
Complexity
38

"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: 70685233
ChEMBL ID
CHEMBL2011942
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
EC50 = 1460 nM
   TI
   LI
   LO
   TS
Biochemical Assays
1 IC50 = 4 nM