General Information of the Compound
Compound ID
CP0390862
Compound Name
8-Methoxy-3,4-dimethyl-1-phenethyl-imidazo[1,5-a]pyrido[3,2-e]pyrazine
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Structure
Formula
C20H20N4O
Molecular Weight
332.407
Canonical SMILES
COc1ccc2nc(C)c3c(C)nc(CCc4ccccc4)n3c2n1
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InChI
InChI=1S/C20H20N4O/c1-13-19-14(2)22-17(11-9-15-7-5-4-6-8-15)24(19)20-16(21-13)10-12-18(23-20)25-3/h4-8,10,12H,9,11H2,1-3H3
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InChIKey
KPRLWRVEXAZMEW-UHFFFAOYSA-N
Physicochemical Property
logP
3.68814
Rotatable Bonds
4
Heavy Atom Count
25
Polar Areas
52.31
Hydrogen Bond Donor Count
0
Hydrogen Bond Acceptor Count
5
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: 24802885
SID: 49749020
ChEMBL ID
CHEMBL1085408
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 = 116 nM
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