General Information of the Compound
Compound ID
CP0403436
Compound Name
N-[6-(5-amino-6-propan-2-yloxypyrazin-2-yl)imidazo[1,2-a]pyridin-2-yl]acetamide
    Show/Hide
Structure
Formula
C16H18N6O2
Molecular Weight
326.36
Canonical SMILES
CC(C)Oc1nc(cnc1N)-c1ccc2nc(NC(C)=O)cn2c1
    Show/Hide
InChI
InChI=1S/C16H18N6O2/c1-9(2)24-16-15(17)18-6-12(20-16)11-4-5-14-21-13(19-10(3)23)8-22(14)7-11/h4-9H,1-3H3,(H2,17,18)(H,19,23)
    Show/Hide
InChIKey
VVRKKZWMHACNMV-UHFFFAOYSA-N
Physicochemical Property
logP
2.1191
Rotatable Bonds
4
Heavy Atom Count
24
Polar Areas
107.43
Hydrogen Bond Donor Count
2
Hydrogen Bond Acceptor Count
7
Complexity
24

"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: 59251951
ChEMBL ID
CHEMBL3753366
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 < 40 nM
   TI
   LI
   LO
   TS
Biochemical Assays
1 IC50 = 2 nM