General Information of the Compound
Compound ID
CP0513101
Compound Name
2-(2-imidazo[1,5-a]pyridin-3-ylethyl)-5-methyl-1-phenylbenzimidazole
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Structure
Formula
C23H20N4
Molecular Weight
352.441
Canonical SMILES
Cc1ccc2n(c(CCc3ncc4ccccn34)nc2c1)-c1ccccc1
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InChI
InChI=1S/C23H20N4/c1-17-10-11-21-20(15-17)25-23(27(21)18-7-3-2-4-8-18)13-12-22-24-16-19-9-5-6-14-26(19)22/h2-11,14-16H,12-13H2,1H3
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InChIKey
NAGFJJRSJXQNJP-UHFFFAOYSA-N
Physicochemical Property
logP
4.76682
Rotatable Bonds
4
Heavy Atom Count
27
Polar Areas
35.12
Hydrogen Bond Donor Count
0
Hydrogen Bond Acceptor Count
4
Complexity
27

"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: 90644305
ChEMBL ID
CHEMBL3288409
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 = 6800 nM
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