General Information of the Compound
Compound ID
CP0514162
Compound Name
1-Benzyl-3,4-dimethyl-8-methoxy-imidazo[1,5-a]pyrido[3,2-e]pyrazine
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Structure
Formula
C19H18N4O
Molecular Weight
318.38
Canonical SMILES
COc1ccc2nc(C)c3c(C)nc(Cc4ccccc4)n3c2n1
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InChI
InChI=1S/C19H18N4O/c1-12-18-13(2)21-16(11-14-7-5-4-6-8-14)23(18)19-15(20-12)9-10-17(22-19)24-3/h4-10H,11H2,1-3H3
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InChIKey
GMHDAXGTOYEOJB-UHFFFAOYSA-N
Physicochemical Property
logP
3.49374
Rotatable Bonds
3
Heavy Atom Count
24
Polar Areas
52.31
Hydrogen Bond Donor Count
0
Hydrogen Bond Acceptor Count
5
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: 42630799
SID: 81069758
ChEMBL ID
CHEMBL1085407
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 = 21.4 nM
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