General Information of the Compound
Compound ID
CP0167775
Compound Name
6-(2-aminopyrimidin-5-yl)-8-morpholin-4-ylimidazo[1,2-a]pyrazine-2-carboxamide
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Structure
Formula
C15H16N8O2
Molecular Weight
340.347
Canonical SMILES
NC(=O)c1cn2cc(nc(N3CCOCC3)c2n1)-c1cnc(N)nc1
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InChI
InChI=1S/C15H16N8O2/c16-12(24)11-8-23-7-10(9-5-18-15(17)19-6-9)20-13(14(23)21-11)22-1-3-25-4-2-22/h5-8H,1-4H2,(H2,16,24)(H2,17,18,19)
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InChIKey
TVJKETGEPHVIPX-UHFFFAOYSA-N
Physicochemical Property
logP
-0.296
Rotatable Bonds
3
Heavy Atom Count
25
Polar Areas
137.55
Hydrogen Bond Donor Count
2
Hydrogen Bond Acceptor Count
9
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: 49788443
SID: 103063450
ChEMBL ID
CHEMBL2058163
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 = 1.8 nM
   TI
   LI
   LO
   TS
Biochemical Assays
1 IC50 = 0.4 nM