General Information of the Compound
Compound ID
CP0417660
Compound Name
8-Methoxy-3-methyl-4-phenethyloxy-1-propyl-imidazo[1,5-a]-pyrido[3,2-e]pyrazine
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Structure
Formula
C22H24N4O2
Molecular Weight
376.46
Canonical SMILES
CCCc1nc(C)c2c(OCCc3ccccc3)nc3ccc(OC)nc3n12
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InChI
InChI=1S/C22H24N4O2/c1-4-8-18-23-15(2)20-22(28-14-13-16-9-6-5-7-10-16)24-17-11-12-19(27-3)25-21(17)26(18)20/h5-7,9-12H,4,8,13-14H2,1-3H3
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InChIKey
BCEDCYOCCOCEEY-UHFFFAOYSA-N
Physicochemical Property
logP
4.16852
Rotatable Bonds
7
Heavy Atom Count
28
Polar Areas
61.54
Hydrogen Bond Donor Count
0
Hydrogen Bond Acceptor Count
6
Complexity
28

"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: 24804871
SID: 49751038
ChEMBL ID
CHEMBL1083127
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
CL000012 Sf21 Spodoptera frugiperda (Fall armyworm)  1
1
IC50 = 383 nM
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