General Information of the Compound
Compound ID
CP0926292
Compound Name
3-[1-(4,5-dimethyl-1H-imidazol-2-yl)-2-methyl-propyl]-6-(8-fluoro-2-naphthyl)-1H-pyridin-2-one
    Show/Hide
Structure
Formula
C24H24FN3O
Molecular Weight
389.474
Canonical SMILES
Cc1nc(C(c2ccc(-c3ccc4cccc(F)c4c3)[nH]c2=O)C(C)C)[nH]c1C
    Show/Hide
InChI
InChI=1S/C24H24FN3O/c1-13(2)22(23-26-14(3)15(4)27-23)18-10-11-21(28-24(18)29)17-9-8-16-6-5-7-20(25)19(16)12-17/h5-13,22H,1-4H3,(H,26,27)(H,28,29)
    Show/Hide
InChIKey
OAXHMKKTZXRFJZ-UHFFFAOYSA-N
Physicochemical Property
logP
5.46204
Rotatable Bonds
4
Heavy Atom Count
29
Polar Areas
61.54
Hydrogen Bond Donor Count
2
Hydrogen Bond Acceptor Count
2
Complexity
29

"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).

    Show/Hide
Click to Show/Hide the External Link(s) of This Compound
PubChem ID
CID: 137477779
ChEMBL ID
CHEMBL4857240
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: PT01367, Prostaglandin E2 receptor EP3 subtype
Cell-based Assay
Cell Line ID Cell Line Name Cell Line Organism
CL000011 CHO Cricetulus griseus (Chinese hamster)  2
1
IC50 = 50 nM
   TI
   LI
   LO
   TS
2
Ki = 7 nM
   TI
   LI
   LO
   TS