General Information of the Compound
Compound ID
CP0926293
Compound Name
2-hydroxy-3-methyl-2-[6-(2-naphthyl)-2-oxo-1H-pyridin-3-yl]butanamide
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Structure
Formula
C20H20N2O3
Molecular Weight
336.391
Canonical SMILES
CC(C)C(O)(C(N)=O)c1ccc(-c2ccc3ccccc3c2)[nH]c1=O
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InChI
InChI=1S/C20H20N2O3/c1-12(2)20(25,19(21)24)16-9-10-17(22-18(16)23)15-8-7-13-5-3-4-6-14(13)11-15/h3-12,25H,1-2H3,(H2,21,24)(H,22,23)
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InChIKey
SWXGZNYOFJRCNH-UHFFFAOYSA-N
Physicochemical Property
logP
2.524
Rotatable Bonds
4
Heavy Atom Count
25
Polar Areas
96.18
Hydrogen Bond Donor Count
3
Hydrogen Bond Acceptor Count
3
Complexity
25

"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: 137478051
ChEMBL ID
CHEMBL4868701
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 = 509 nM
   TI
   LI
   LO
   TS
2
Ki = 50 nM
   TI
   LI
   LO
   TS