General Information of the Compound
Compound ID
CP0474693
Compound Name
4-[2-ethyl-3-[1-(2-methoxyethyl)pyrazol-4-yl]imidazo[1,2-a]pyrazin-8-yl]morpholine
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Structure
Formula
C18H24N6O2
Molecular Weight
356.43
Canonical SMILES
CCc1nc2c(nccn2c1-c1cnn(CCOC)c1)N1CCOCC1
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InChI
InChI=1S/C18H24N6O2/c1-3-15-16(14-12-20-23(13-14)8-9-25-2)24-5-4-19-17(18(24)21-15)22-6-10-26-11-7-22/h4-5,12-13H,3,6-11H2,1-2H3
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InChIKey
YSZAZYDOEHSRTH-UHFFFAOYSA-N
Physicochemical Property
logP
1.6382
Rotatable Bonds
6
Heavy Atom Count
26
Polar Areas
69.71
Hydrogen Bond Donor Count
0
Hydrogen Bond Acceptor Count
8
Complexity
26

"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: 71138937
ChEMBL ID
CHEMBL3262030
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 = 154.88 nM
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