General Information of the Compound
Compound ID
CP0479158
Compound Name
4-Cyano-1-cyclohexyl-8-methoxy-3-methyl-imidazo[1,5-a]pyrido-[3,2-e]pyrazine
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Structure
Formula
C18H19N5O
Molecular Weight
321.384
Canonical SMILES
COc1ccc2nc(C#N)c3c(C)nc(C4CCCCC4)n3c2n1
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InChI
InChI=1S/C18H19N5O/c1-11-16-14(10-19)21-13-8-9-15(24-2)22-18(13)23(16)17(20-11)12-6-4-3-5-7-12/h8-9,12H,3-7H2,1-2H3
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InChIKey
IDBPPELBLKXMMJ-UHFFFAOYSA-N
Physicochemical Property
logP
3.5139
Rotatable Bonds
2
Heavy Atom Count
24
Polar Areas
76.1
Hydrogen Bond Donor Count
0
Hydrogen Bond Acceptor Count
6
Complexity
24

"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: 42630684
SID: 81069638
ChEMBL ID
CHEMBL1085311
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 = 9.62 nM
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