General Information of the Compound
Compound ID
CP0396693
Compound Name
2-methyl-8-morpholin-4-yl-N-[(4-pyridin-4-ylphenyl)methyl]imidazo[1,2-a]pyrazin-3-amine
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Structure
Formula
C23H24N6O
Molecular Weight
400.486
Canonical SMILES
Cc1nc2c(nccn2c1NCc1ccc(cc1)-c1ccncc1)N1CCOCC1
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InChI
InChI=1S/C23H24N6O/c1-17-21(26-16-18-2-4-19(5-3-18)20-6-8-24-9-7-20)29-11-10-25-22(23(29)27-17)28-12-14-30-15-13-28/h2-11,26H,12-16H2,1H3
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InChIKey
TUUVLAPBTJGKRD-UHFFFAOYSA-N
Physicochemical Property
logP
3.54842
Rotatable Bonds
5
Heavy Atom Count
30
Polar Areas
67.58
Hydrogen Bond Donor Count
1
Hydrogen Bond Acceptor Count
7
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: 137634864
ChEMBL ID
CHEMBL4063539
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: PT01875, 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 = 391 nM
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