Brief Information of the Compound and Protein
Compound Name
2-({4-chloro-6-[(2,3-dimethylphenyl)amino]pyrimidin-2-yl}sulfanyl)acetic acid
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PubChem ID
CID: 5694
SID: 12015627
Canonical SMILES
Cc1cccc(Nc2cc(Cl)nc(SCC(O)=O)n2)c1C
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Compound Formula C14H14ClN3O2S
Compound Structure
Protein Name
Peroxisome proliferator-activated receptor alpha
Protein Classification
Transcription factor
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Nuclear receptor
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Nuclear hormone receptor subfamily 1
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Nuclear hormone receptor subfamily 1 group C
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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
CL000109 COS-1 Chlorocebus aethiops (Green monkey)  1
1
EC50 = 39000 nM
   TI
   LI
   LO
   TS
CL000053 COS-7 Chlorocebus aethiops (Green monkey)  4
1
EC50 = 3000 nM
   TI
   LI
   LO
   TS
2
EC50 = 10000 nM
   TI
   LI
   LO
   TS
3
EC50 = 39800 nM
   TI
   LI
   LO
   TS
4
IC50 = 36300 nM
   TI
   LI
   LO
   TS
CL000044 CV-1 Chlorocebus aethiops (Green monkey)  1
1
EC50 = 130 nM
   TI
   LI
   LO
   TS
CL000006 HEK293 Homo sapiens (Human)  1
1
EC50 = 23330 nM
   TI
   LI
   LO
   TS
CL000063 Hep-G2 Homo sapiens (Human)  6
1
EC50 = 1560 nM
   TI
   LI
   LO
   TS
2
EC50 = 1600 nM
   TI
   LI
   LO
   TS
3
EC50 = 1620 nM
   TI
   LI
   LO
   TS
4
EC50 = 3460 nM
   TI
   LI
   LO
   TS
5
EC50 = 4800 nM
   TI
   LI
   LO
   TS
6
EC50 = 7100 nM
   TI
   LI
   LO
   TS
CL000083 MCF-7 Homo sapiens (Human)  2
1
EC50 = 542 nM
   TI
   LI
   LO
   TS
2
EC50 = 650 nM
   TI
   LI
   LO
   TS
CL000043 U2OS Homo sapiens (Human)  1
1
EC50 = 12000 nM
   TI
   LI
   LO
   TS
Biochemical Assays
1 EC50 = 740 nM
2 EC50 = 12600 nM
3 EC50 = 13000 nM
4 EC50 = 15500 nM
5 EC50 = 29000 nM
6 IC50 = 10110 nM
7 Kd = 18.9 nM
8 Ki = 4130 nM
9 Ki = 4500 nM