General Information of the Compound
Compound ID
CP0390864
Compound Name
1-Cyclohexyl-3,4-dimethyl-8-methoxy-imidazo[1,5-a]pyrido[3,2-e]pyrazine
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Structure
Formula
C18H22N4O
Molecular Weight
310.401
Canonical SMILES
COc1ccc2nc(C)c3c(C)nc(C4CCCCC4)n3c2n1
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InChI
InChI=1S/C18H22N4O/c1-11-16-12(2)20-17(13-7-5-4-6-8-13)22(16)18-14(19-11)9-10-15(21-18)23-3/h9-10,13H,4-8H2,1-3H3
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InChIKey
GGLOHDIXAIIIHN-UHFFFAOYSA-N
Physicochemical Property
logP
3.95064
Rotatable Bonds
2
Heavy Atom Count
23
Polar Areas
52.31
Hydrogen Bond Donor Count
0
Hydrogen Bond Acceptor Count
5
Complexity
23

"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: 24802722
SID: 49748851
ChEMBL ID
CHEMBL1085405
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 = 2.84 nM
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