General Information of the Compound
Compound ID
CP0478380
Compound Name
3-[4-[[2-(4-ethylphenyl)pyrazol-3-yl]methoxy]-2,3-dimethylphenyl]propanoic acid
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Structure
Formula
C23H26N2O3
Molecular Weight
378.472
Canonical SMILES
CCc1ccc(cc1)-n1nccc1COc1ccc(CCC(O)=O)c(C)c1C
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InChI
InChI=1S/C23H26N2O3/c1-4-18-5-9-20(10-6-18)25-21(13-14-24-25)15-28-22-11-7-19(8-12-23(26)27)16(2)17(22)3/h5-7,9-11,13-14H,4,8,12,15H2,1-3H3,(H,26,27)
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InChIKey
HYYKTJKKYLOCRT-UHFFFAOYSA-N
Physicochemical Property
logP
4.64774
Rotatable Bonds
8
Heavy Atom Count
28
Polar Areas
64.35
Hydrogen Bond Donor Count
1
Hydrogen Bond Acceptor Count
4
Complexity
28

"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: 59455584
ChEMBL ID
CHEMBL4073815
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: PT04427, Free fatty acid receptor 4
Cell-based Assay
Cell Line ID Cell Line Name Cell Line Organism
CL000006 HEK293 Homo sapiens (Human)  1
1
EC50 = 520 nM
   TI
   LI
   LO
   TS
CL000026 CHO-K1 Cricetulus griseus (Chinese hamster)  1
1
EC50 = 1150 nM
   TI
   LI
   LO
   TS