General Information of the Compound
Compound ID
CP0414692
Compound Name
2-[5-(2-methyl-8-morpholin-4-ylimidazo[1,2-a]pyrazin-3-yl)pyridin-2-yl]ethanol
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Structure
Formula
C18H21N5O2
Molecular Weight
339.399
Canonical SMILES
Cc1nc2c(nccn2c1-c1ccc(CCO)nc1)N1CCOCC1
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InChI
InChI=1S/C18H21N5O2/c1-13-16(14-2-3-15(4-9-24)20-12-14)23-6-5-19-17(18(23)21-13)22-7-10-25-11-8-22/h2-3,5-6,12,24H,4,7-11H2,1H3
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InChIKey
DFXMKSJGLYNZOD-UHFFFAOYSA-N
Physicochemical Property
logP
1.47112
Rotatable Bonds
4
Heavy Atom Count
25
Polar Areas
75.78
Hydrogen Bond Donor Count
1
Hydrogen Bond Acceptor Count
7
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: 67438484
ChEMBL ID
CHEMBL3394345
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: PT02512, cAMP and cAMP-inhibited cGMP 3',5'-cyclic phosphodiesterase 10A
Cell-based Assay
Cell Line ID Cell Line Name Cell Line Organism
CL000013 Sf9 Spodoptera frugiperda (Fall armyworm)  1
1
IC50 = 194.98 nM
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