General Information of the Compound
Compound ID
CP0463321
Compound Name
1-Ethyl-8-methoxy-3-methyl-4-propyloxy-imidazo[1,5-a]pyrido-[3,2-e]pyrazine
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Structure
Formula
C16H20N4O2
Molecular Weight
300.362
Canonical SMILES
CCCOc1nc2ccc(OC)nc2n2c(CC)nc(C)c12
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InChI
InChI=1S/C16H20N4O2/c1-5-9-22-16-14-10(3)17-12(6-2)20(14)15-11(18-16)7-8-13(19-15)21-4/h7-8H,5-6,9H2,1-4H3
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InChIKey
QGUUMNJEMZDEGS-UHFFFAOYSA-N
Physicochemical Property
logP
2.94572
Rotatable Bonds
5
Heavy Atom Count
22
Polar Areas
61.54
Hydrogen Bond Donor Count
0
Hydrogen Bond Acceptor Count
6
Complexity
22

"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: 24804699
SID: 49750856
ChEMBL ID
CHEMBL1083167
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 = 149 nM
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