General Information of the Compound
Compound ID
CP0455105
Compound Name
N-[6-(6-amino-5-methoxypyridin-3-yl)imidazo[1,2-a]pyridin-2-yl]acetamide
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Structure
Formula
C15H15N5O2
Molecular Weight
297.318
Canonical SMILES
COc1cc(cnc1N)-c1ccc2nc(NC(C)=O)cn2c1
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InChI
InChI=1S/C15H15N5O2/c1-9(21)18-13-8-20-7-10(3-4-14(20)19-13)11-5-12(22-2)15(16)17-6-11/h3-8H,1-2H3,(H2,16,17)(H,18,21)
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InChIKey
NVWDOEUDPHZVMT-UHFFFAOYSA-N
Physicochemical Property
logP
1.9455
Rotatable Bonds
3
Heavy Atom Count
22
Polar Areas
94.54
Hydrogen Bond Donor Count
2
Hydrogen Bond Acceptor Count
6
Complexity
22

"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: 59251709
ChEMBL ID
CHEMBL3752775
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: PT01045, Phosphatidylinositol 4,5-bisphosphate 3-kinase catalytic subunit alpha isoform
Cell-based Assay
Cell Line ID Cell Line Name Cell Line Organism
CL000072 A2780 Homo sapiens (Human)  1
1
EC50 = 90 nM
   TI
   LI
   LO
   TS
Biochemical Assays
1 IC50 = 13 nM