General Information of the Compound
Compound ID
CP0447635
Compound Name
N-[6-(6-amino-5-ethoxypyridin-3-yl)imidazo[1,2-a]pyridin-2-yl]acetamide
    Show/Hide
Structure
Formula
C16H17N5O2
Molecular Weight
311.345
Canonical SMILES
CCOc1cc(cnc1N)-c1ccc2nc(NC(C)=O)cn2c1
    Show/Hide
InChI
InChI=1S/C16H17N5O2/c1-3-23-13-6-12(7-18-16(13)17)11-4-5-15-20-14(19-10(2)22)9-21(15)8-11/h4-9H,3H2,1-2H3,(H2,17,18)(H,19,22)
    Show/Hide
InChIKey
JBFQQGQNUUSZHR-UHFFFAOYSA-N
Physicochemical Property
logP
2.3356
Rotatable Bonds
4
Heavy Atom Count
23
Polar Areas
94.54
Hydrogen Bond Donor Count
2
Hydrogen Bond Acceptor Count
6
Complexity
23

"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: 59251796
ChEMBL ID
CHEMBL3753665
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 = 270 nM
   TI
   LI
   LO
   TS
Biochemical Assays
1 IC50 = 16 nM
Cell Viability or Cytotoxicity Assay
Cell Line ID Cell Line Name Cell Line Organism
CL000072 A2780 Homo sapiens (Human)  1
1
EC50 = 1000 nM
   TI
   LI
   LO
   TS