General Information of the Compound
Compound ID
CP0382480
Compound Name
2-methyl-4-[2-(5-methyl-1-phenylbenzimidazol-2-yl)ethyl]pyrido[2,3-b]pyrazin-3-one
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Structure
Formula
C24H21N5O
Molecular Weight
395.466
Canonical SMILES
Cc1ccc2n(c(CCn3c4ncccc4nc(C)c3=O)nc2c1)-c1ccccc1
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InChI
InChI=1S/C24H21N5O/c1-16-10-11-21-20(15-16)27-22(29(21)18-7-4-3-5-8-18)12-14-28-23-19(9-6-13-25-23)26-17(2)24(28)30/h3-11,13,15H,12,14H2,1-2H3
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InChIKey
ABIPYXOEURICTI-UHFFFAOYSA-N
Physicochemical Property
logP
3.98994
Rotatable Bonds
4
Heavy Atom Count
30
Polar Areas
65.6
Hydrogen Bond Donor Count
0
Hydrogen Bond Acceptor Count
6
Complexity
30

"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: 90644309
ChEMBL ID
CHEMBL3288415
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
CL000013 Sf9 Spodoptera frugiperda (Fall armyworm)  1
1
IC50 = 28 nM
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