General Information of the Compound
Compound ID
CP0154471
Compound Name
6-(2-aminopyrimidin-5-yl)-N-(2-methoxyethyl)-3-methyl-8-morpholin-4-ylimidazo[1,2-a]pyrazine-2-carboxamide
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Structure
Formula
C19H24N8O3
Molecular Weight
412.454
Canonical SMILES
COCCNC(=O)c1nc2c(nc(cn2c1C)-c1cnc(N)nc1)N1CCOCC1
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InChI
InChI=1S/C19H24N8O3/c1-12-15(18(28)21-3-6-29-2)25-17-16(26-4-7-30-8-5-26)24-14(11-27(12)17)13-9-22-19(20)23-10-13/h9-11H,3-8H2,1-2H3,(H,21,28)(H2,20,22,23)
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InChIKey
SACVGFNKAAPQIB-UHFFFAOYSA-N
Physicochemical Property
logP
0.28972
Rotatable Bonds
6
Heavy Atom Count
30
Polar Areas
132.79
Hydrogen Bond Donor Count
2
Hydrogen Bond Acceptor Count
10
Complexity
30

"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: 70694723
SID: 163441094
ChEMBL ID
CHEMBL2058172
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
CL000043 U2OS Homo sapiens (Human)  1
1
IC50 = 13 nM
   TI
   LI
   LO
   TS
Biochemical Assays
1 IC50 = 0.9 nM
2 Ki = 1.9 nM
3 Ki = 2.3 nM
4 Ki = 2.4 nM
5 Ki = 3.1 nM