General Information of the Compound
Compound ID
CP0911035
Compound Name
2-fluoro-2-[6-(8-fluoro-2-naphthyl)-2-oxo-1H-pyridin-3-yl]-3-methyl-butanamide
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Structure
Formula
C20H18F2N2O2
Molecular Weight
356.372
Canonical SMILES
CC(C)C(F)(C(N)=O)c1ccc(-c2ccc3cccc(F)c3c2)[nH]c1=O
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InChI
InChI=1S/C20H18F2N2O2/c1-11(2)20(22,19(23)26)15-8-9-17(24-18(15)25)13-7-6-12-4-3-5-16(21)14(12)10-13/h3-11H,1-2H3,(H2,23,26)(H,24,25)
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InChIKey
RKCPJLIKGCZUPC-UHFFFAOYSA-N
Physicochemical Property
logP
3.6403
Rotatable Bonds
4
Heavy Atom Count
26
Polar Areas
75.95
Hydrogen Bond Donor Count
2
Hydrogen Bond Acceptor Count
2
Complexity
26

"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: 137477568
ChEMBL ID
CHEMBL4855134
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 = 426 nM
   TI
   LI
   LO
   TS
2
Ki = 26 nM
   TI
   LI
   LO
   TS