General Information of the Compound
Compound ID
CP0238436
Compound Name
6-(2-aminopyrimidin-5-yl)-5-chloro-N-(2-methoxyethyl)-8-morpholin-4-ylimidazo[1,2-a]pyrazine-2-carboxamide
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Structure
Formula
C18H21ClN8O3
Molecular Weight
432.872
Canonical SMILES
COCCNC(=O)c1cn2c(Cl)c(nc(N3CCOCC3)c2n1)-c1cnc(N)nc1
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InChI
InChI=1S/C18H21ClN8O3/c1-29-5-2-21-17(28)12-10-27-14(19)13(11-8-22-18(20)23-9-11)25-15(16(27)24-12)26-3-6-30-7-4-26/h8-10H,2-7H2,1H3,(H,21,28)(H2,20,22,23)
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InChIKey
XHUPVZYEIQWEGR-UHFFFAOYSA-N
Physicochemical Property
logP
0.6347
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: 70686372
ChEMBL ID
CHEMBL2058171
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 = 35.1 nM
   TI
   LI
   LO
   TS
Biochemical Assays
1 IC50 = 11.2 nM