General Information of the Compound
Compound ID
CP0153409
Compound Name
2-[5-methyl-6-(6-methylpyridin-3-yl)pyridin-3-yl]-N-(5-pyrazin-2-ylpyridin-2-yl)acetamide
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Structure
Formula
C23H20N6O
Molecular Weight
396.454
Canonical SMILES
Cc1ccc(cn1)-c1ncc(CC(=O)Nc2ccc(cn2)-c2cnccn2)cc1C
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InChI
InChI=1S/C23H20N6O/c1-15-9-17(11-28-23(15)19-4-3-16(2)26-13-19)10-22(30)29-21-6-5-18(12-27-21)20-14-24-7-8-25-20/h3-9,11-14H,10H2,1-2H3,(H,27,29,30)
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InChIKey
JRUJPWQYJMOGKB-UHFFFAOYSA-N
Physicochemical Property
logP
3.79364
Rotatable Bonds
5
Heavy Atom Count
30
Polar Areas
93.55
Hydrogen Bond Donor Count
1
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: 121237481
ChEMBL ID
CHEMBL3623896
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: PT04895, Protein-serine O-palmitoleoyltransferase porcupine
Cell-based Assay
Cell Line ID Cell Line Name Cell Line Organism
CL000575 L Wnt-3A Mus musculus (Mouse)  1
1
IC50 = 0.57 nM
   TI
   LI
   LO
   TS
Biochemical Assays
1 IC50 = 0.38 nM