Brief Information of the Compound and Protein
Compound Name
2-(4-(2-(3-cyclohexyl-1-(4-cyclohexylbutyl)ureido)ethyl)phenylthio)-2-methylpropanoic acid
    Show/Hide
PubChem ID
CID: 3392731
SID: 14835703
Canonical SMILES
CC(C)(Sc1ccc(CCN(CCCCC2CCCCC2)C(=O)NC2CCCCC2)cc1)C(O)=O
    Show/Hide
Compound Formula C29H46N2O3S
Compound Structure
Protein Name
Peroxisome proliferator-activated receptor alpha
Protein Classification
Transcription factor
>
Nuclear receptor
>
Nuclear hormone receptor subfamily 1
>
Nuclear hormone receptor subfamily 1 group C
>
Nuclear hormone receptor subfamily 1 group C member 1
Uniprot ID
Q07869
Gene Name
PPARA
Table of Molecular Bioactivities Related to the Compound and Protein
Cell-based Assay
Cell Line ID Cell Line Name Cell Line Organism
CL000026 CHO-K1 Cricetulus griseus (Chinese hamster)  1
1
EC50 = 1 nM
   TI
   LI
   LO
   TS
CL000053 COS-7 Chlorocebus aethiops (Green monkey)  4
1
EC50 = 200 nM
   TI
   LI
   LO
   TS
2
EC50 = 230 nM
   TI
   LI
   LO
   TS
3
EC50 = 250 nM
   TI
   LI
   LO
   TS
4
EC50 = 2080 nM
   TI
   LI
   LO
   TS
CL000044 CV-1 Chlorocebus aethiops (Green monkey)  1
1
EC50 = 6 nM
   TI
   LI
   LO
   TS
CL000025 HEK-293T Homo sapiens (Human)  1
1
EC50 = 15.4 nM
   TI
   LI
   LO
   TS
CL000006 HEK293 Homo sapiens (Human)  6
1
EC50 = 0.89 nM
   TI
   LI
   LO
   TS
2
EC50 = 5.4 nM
   TI
   LI
   LO
   TS
3
EC50 = 6.5 nM
   TI
   LI
   LO
   TS
4
EC50 = 21 nM
   TI
   LI
   LO
   TS
5
EC50 = 26 nM
   TI
   LI
   LO
   TS
6
EC50 = 200 nM
   TI
   LI
   LO
   TS
CL000050 HEK293-A Homo sapiens (Human)  1
1
EC50 = 200 nM
   TI
   LI
   LO
   TS
CL000063 Hep-G2 Homo sapiens (Human)  2
1
EC50 = 7 nM
   TI
   LI
   LO
   TS
2
EC50 = 9 nM
   TI
   LI
   LO
   TS
CL000083 MCF-7 Homo sapiens (Human)  1
1
EC50 = 6.5 nM
   TI
   LI
   LO
   TS
Biochemical Assays
1 EC50 = 1.4 nM
2 EC50 = 1.8 nM
3 EC50 = 3 nM
4 EC50 = 5 nM
5 EC50 = 6 nM
6 EC50 = 7 nM
7 EC50 = 20 nM
8 EC50 = 18600 nM
9 Kd = 1 nM
10 Kd = 32.4 nM
11 Kd = 96400 nM
12 Ki = 0.0541 nM
13 Ki = 1.2 nM
14 Ki = 7 nM
15 Ki = 10 nM