General Information of the Compound
Compound ID
CP0429707
Compound Name
N-[6-[5-amino-6-(2-methoxyethoxy)pyrazin-2-yl]imidazo[1,2-a]pyridin-2-yl]acetamide
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Structure
Formula
C16H18N6O3
Molecular Weight
342.359
Canonical SMILES
COCCOc1nc(cnc1N)-c1ccc2nc(NC(C)=O)cn2c1
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InChI
InChI=1S/C16H18N6O3/c1-10(23)19-13-9-22-8-11(3-4-14(22)21-13)12-7-18-15(17)16(20-12)25-6-5-24-2/h3-4,7-9H,5-6H2,1-2H3,(H2,17,18)(H,19,23)
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InChIKey
TXMXAPDKEYYXPE-UHFFFAOYSA-N
Physicochemical Property
logP
1.3571
Rotatable Bonds
6
Heavy Atom Count
25
Polar Areas
116.66
Hydrogen Bond Donor Count
2
Hydrogen Bond Acceptor Count
8
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).

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PubChem ID
CID: 59251845
ChEMBL ID
CHEMBL3753085
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 = 170 nM
   TI
   LI
   LO
   TS
Biochemical Assays
1 IC50 = 8 nM