General Information of the Compound
Compound ID
CP0579328
Compound Name
4-[2-methyl-3-(2-pyridin-2-yloxyethyl)imidazo[4,5-b]pyridin-5-yl]pyridine-2,6-diamine
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Structure
Formula
C19H19N7O
Molecular Weight
361.409
Canonical SMILES
Cc1nc2ccc(nc2n1CCOc1ccccn1)-c1cc(N)nc(N)c1
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InChI
InChI=1S/C19H19N7O/c1-12-23-15-6-5-14(13-10-16(20)25-17(21)11-13)24-19(15)26(12)8-9-27-18-4-2-3-7-22-18/h2-7,10-11H,8-9H2,1H3,(H4,20,21,25)
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InChIKey
QXPJTIYARGTANC-UHFFFAOYSA-N
Physicochemical Property
logP
2.44012
Rotatable Bonds
5
Heavy Atom Count
27
Polar Areas
117.76
Hydrogen Bond Donor Count
2
Hydrogen Bond Acceptor Count
8
Complexity
27

"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: 135336101
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: PT01592, Dual specificity tyrosine-phosphorylation-regulated kinase 1A
Cell-based Assay
Cell Line ID Cell Line Name Cell Line Organism
CL000043 U2OS Homo sapiens (Human)  1
1
IC50 = 89 nM
   TI
   LI
   LO
   TS
Biochemical Assays
1 IC50 = 6 nM