Detailed information for compound 454993

Basic information

Technical information
  • TDR Targets ID: 454993
  • Name: 3-[4-[(3R)-3-(4-ethyl-2-pyridin-4-ylphenoxy)b utoxy]-2-methylphenyl]propanoic acid
  • MW: 433.539 | Formula: C27H31NO4
  • H donors: 1 H acceptors: 3 LogP: 5.83 Rotable bonds: 11
    Rule of 5 violations (Lipinski): 1
  • SMILES: CCc1ccc(c(c1)c1ccncc1)O[C@@H](CCOc1ccc(c(c1)C)CCC(=O)O)C
  • InChi: 1S/C27H31NO4/c1-4-21-5-9-26(25(18-21)23-11-14-28-15-12-23)32-20(3)13-16-31-24-8-6-22(19(2)17-24)7-10-27(29)30/h5-6,8-9,11-12,14-15,17-18,20H,4,7,10,13,16H2,1-3H3,(H,29,30)/t20-/m1/s1
  • InChiKey: OAZGGHCYFQETEG-HXUWFJFHSA-N  


Substructure search Similarity search

Network

Hover on a compound node to display the structore

Synonyms

  • 3-[4-[(3R)-3-[4-ethyl-2-(4-pyridyl)phenoxy]butoxy]-2-methyl-phenyl]propanoic acid
  • 3-[4-[(3R)-3-[4-ethyl-2-(4-pyridyl)phenoxy]butoxy]-2-methylphenyl]propanoic acid
  • 3-[4-[(3R)-3-(4-ethyl-2-pyridin-4-yl-phenoxy)butoxy]-2-methyl-phenyl]propanoic acid
  • 3-[4-[(3R)-3-[4-ethyl-2-(4-pyridyl)phenoxy]butoxy]-2-methyl-phenyl]propionic acid

Targets

Known targets for this compound

Species Target name Source Bibliographic reference
Homo sapiens peroxisome proliferator-activated receptor delta Starlite/ChEMBL References
Homo sapiens peroxisome proliferator-activated receptor gamma Starlite/ChEMBL References

Predicted pathogen targets for this compound

By orthology
No druggable targets predicted by orthology data
By sequence similarity to non orthologous known druggable targets
Species Potential target Known druggable target Length Alignment span Identity
Brugia malayi ecdysteroid receptor peroxisome proliferator-activated receptor delta 441 aa 369 aa 24.7 %
Echinococcus granulosus ecdysone induced protein 78C peroxisome proliferator-activated receptor gamma 477 aa 447 aa 28.2 %
Obtained from network model

Ranking Plot

Putative Targets List

Species Potential target Raw Global Species
Entamoeba histolytica cysteine proteinase 2 0.0029 0.1567 0.4054
Trichomonas vaginalis Clan CA, family C1, cathepsin L-like cysteine peptidase 0.0053 0.3108 0.8838
Brugia malayi Nuclear hormone receptor family member nhr-3 0.0021 0.1048 0.0937
Trichomonas vaginalis Clan CA, family C1, cathepsin L-like cysteine peptidase 0.0053 0.3108 0.8838
Brugia malayi Nuclear hormone receptor-like 1 0.0011 0.0382 0.0263
Brugia malayi nuclear receptor NHR-67 0.001 0.0302 0.0182
Schistosoma mansoni Band 4.1-like protein 0.0007 0.0122 0.0122
Entamoeba histolytica cysteine proteinase, putative 0.0029 0.1567 0.4054
Trichomonas vaginalis Clan CA, family C1, papain-like cysteine peptidase 0.0053 0.3108 0.8838
Brugia malayi Nuclear hormone receptor family member nhr-14 0.0021 0.1048 0.0937
Onchocerca volvulus Cathepsin L homolog 0.0013 0.0516 0.08
Brugia malayi Nuclear hormone receptor family member nhr-40 0.0021 0.1048 0.0937
Loa Loa (eye worm) hypothetical protein 0.0053 0.3108 0.3108
Echinococcus granulosus Nuclear hormone receptor HR96 0.001 0.0302 0.0182
Entamoeba histolytica cysteine protease, putative 0.0029 0.1567 0.4054
Giardia lamblia Cathepsin B precursor 0.0058 0.3449 1
Echinococcus multilocularis COUP TF:Svp nuclear hormone receptor 0.0021 0.1048 0.0937
Giardia lamblia Cathepsin B precursor 0.0058 0.3449 1
Brugia malayi steroid hormone receptor 0.0021 0.1048 0.0937
Onchocerca volvulus Putative 4.1 G protein 0.0007 0.0122 0.0036
Loa Loa (eye worm) nuclear hormone receptor-like 1 0.0011 0.0382 0.0382
Echinococcus granulosus nuclear receptor nhr 48 0.001 0.0302 0.0182
Loa Loa (eye worm) hypothetical protein 0.0011 0.0382 0.0382
Trypanosoma brucei cysteine peptidase, Clan CA, family C1, Cathepsin L-like 0.0053 0.3108 0.8189
Echinococcus multilocularis nuclear receptor 2DBD gamma 0.001 0.0302 0.0182
Trypanosoma cruzi cysteine protease, putative 0.0029 0.1567 0.1108
Loa Loa (eye worm) hypothetical protein 0.0011 0.0382 0.0382
Loa Loa (eye worm) hypothetical protein 0.001 0.0302 0.0302
Brugia malayi Cathepsin L-like precursor 0.0053 0.3108 0.3023
Schistosoma mansoni subfamily C1A unassigned peptidase (C01 family) 0.0013 0.0516 0.0516
Echinococcus multilocularis cysteine protease 0.0053 0.3108 0.3023
Loa Loa (eye worm) hypothetical protein 0.001 0.0302 0.0302
Onchocerca volvulus 0.0053 0.3108 0.5823
Schistosoma mansoni thyroid hormone receptor 0.0021 0.1048 0.1048
Trichomonas vaginalis Clan CA, family C1, cathepsin L-like cysteine peptidase 0.0053 0.3108 0.8838
Entamoeba histolytica cysteine protease, putative 0.0029 0.1567 0.4054
Echinococcus granulosus cysteine protease 0.0029 0.1567 0.1463
Entamoeba histolytica cysteine protease, putative 0.0029 0.1567 0.4054
Plasmodium falciparum cysteine proteinase falcipain 1 0.0029 0.1567 0.4054
Loa Loa (eye worm) hypothetical protein 0.0021 0.1048 0.1048
Entamoeba histolytica cysteine proteinase, putative 0.0053 0.3108 1
Loa Loa (eye worm) hypothetical protein 0.001 0.0302 0.0302
Entamoeba histolytica cysteine protease, putative 0.0029 0.1567 0.4054
Brugia malayi Ligand-binding domain of nuclear hormone receptor family protein 0.0021 0.1048 0.0937
Loa Loa (eye worm) hypothetical protein 0.001 0.0302 0.0302
Loa Loa (eye worm) hypothetical protein 0.0021 0.1048 0.1048
Loa Loa (eye worm) hypothetical protein 0.0013 0.0516 0.0516
Trichomonas vaginalis Clan CA, family C1, cathepsin L or K-like cysteine peptidase 0.0053 0.3108 0.8838
Schistosoma mansoni cathepsin B-like peptidase (C01 family) 0.0157 1 1
Loa Loa (eye worm) hypothetical protein 0.0007 0.0122 0.0122
Brugia malayi Nuclear hormone receptor family member nhr-25 0.0021 0.1048 0.0937
Trichomonas vaginalis Clan CA, family C1, cathepsin L-like cysteine peptidase 0.0053 0.3108 0.8838
Trichomonas vaginalis Clan CA, family C1, papain-like cysteine peptidase 0.0053 0.3108 0.8838
Loa Loa (eye worm) nuclear hormone receptor 0.001 0.0302 0.0302
Brugia malayi Nuclear hormone receptor family member nhr-41 0.0021 0.1048 0.0937
Echinococcus granulosus cathepsin l1 0.0053 0.3108 0.3023
Brugia malayi Papain family cysteine protease containing protein 0.0029 0.1567 0.1463
Loa Loa (eye worm) hypothetical protein 0.001 0.0302 0.0302
Brugia malayi hypothetical protein 0.0011 0.0382 0.0263
Trypanosoma cruzi cysteine proteinase, putative 0.0029 0.1567 0.1108
Onchocerca volvulus 0.0037 0.2057 0.3787
Loa Loa (eye worm) hypothetical protein 0.001 0.0302 0.0302
Onchocerca volvulus Nuclear receptor subfamily 6 group A member 1 homolog 0.001 0.0302 0.0385
Trichomonas vaginalis Clan CA, family C1, cathepsin L-like cysteine peptidase 0.0053 0.3108 0.8838
Trypanosoma cruzi cysteine peptidase, putative 0.0053 0.3108 0.2733
Schistosoma mansoni Tr4/Tr2 (homologue) 0.0021 0.1048 0.1048
Echinococcus granulosus hepatocyte nuclear factor 4 alpha 0.0021 0.1048 0.0937
Schistosoma mansoni nuclear hormone receptor 0.0021 0.1048 0.1048
Trichomonas vaginalis Clan CA, family C1, cathepsin B-like cysteine peptidase 0.0058 0.3449 1
Entamoeba histolytica cysteine protease, putative 0.0029 0.1567 0.4054
Loa Loa (eye worm) nuclear hormone receptor family member nhr-41 0.0021 0.1048 0.1048
Plasmodium falciparum cysteine proteinase falcipain 3 0.0053 0.3108 1
Brugia malayi nuclear receptor NHR-88 0.0021 0.1048 0.0937
Loa Loa (eye worm) nuclear receptor nhr-7B 0.001 0.0302 0.0302
Loa Loa (eye worm) hypothetical protein 0.0021 0.1048 0.1048
Echinococcus granulosus nuclear receptor 2DBD gamma 0.0021 0.1048 0.0937
Echinococcus granulosus cathepsin l cysteine peptidase 0.0053 0.3108 0.3023
Echinococcus multilocularis nuclear receptor subfamily 4 group A 0.001 0.0302 0.0182
Schistosoma mansoni cathepsin F (C01 family) 0.0053 0.3108 0.3108
Loa Loa (eye worm) hypothetical protein 0.0021 0.1048 0.1048
Echinococcus granulosus cathepsin L 0.0029 0.1567 0.1463
Brugia malayi Ferm domain 0.0085 0.5264 0.5205
Onchocerca volvulus 0.0053 0.3108 0.5823
Trichomonas vaginalis Clan CA, family C1, papain-like cysteine peptidase 0.0053 0.3108 0.8838
Trichomonas vaginalis Clan CA, family C1, cathepsin L-like cysteine peptidase 0.0053 0.3108 0.8838
Schistosoma mansoni zinc finger protein 0.001 0.0302 0.0302
Schistosoma mansoni retinoic acid receptor RXR 0.0021 0.1048 0.1048
Giardia lamblia Cathepsin B precursor 0.0058 0.3449 1
Loa Loa (eye worm) nuclear hormone receptor family member nhr-14 0.0021 0.1048 0.1048
Brugia malayi Cathepsin L-like precursor 0.0037 0.2057 0.1959
Brugia malayi Nuclear hormone receptor family member nhr-49 0.0021 0.1048 0.0937
Trypanosoma cruzi cruzipain precursor, putative 0.0053 0.3108 0.2733
Schistosoma mansoni thyroid hormone receptor 0.0021 0.1048 0.1048
Brugia malayi nuclear receptor NHR-88 0.001 0.0302 0.0182
Entamoeba histolytica cysteine proteinase, putative 0.0029 0.1567 0.4054
Plasmodium falciparum cysteine proteinase falcipain 2a 0.0053 0.3108 1
Loa Loa (eye worm) nuclear hormone receptor family member nhr-40 0.0021 0.1048 0.1048
Schistosoma mansoni cathepsin s 0.0016 0.0687 0.0687
Onchocerca volvulus 0.001 0.0302 0.0385
Schistosoma mansoni SmCL2-like peptidase (C01 family) 0.0029 0.1567 0.1567
Echinococcus multilocularis retinoic acid receptor rxr beta a retinoic acid receptor rxr alpha a retinoic acid receptor rxr alpha 0.001 0.0302 0.0182
Trypanosoma cruzi cysteine peptidase, putative 0.0053 0.3108 0.2733
Trypanosoma cruzi cruzipain precursor, putative 0.0016 0.0687 0.018
Plasmodium falciparum cysteine proteinase falcipain 2b 0.0053 0.3108 1
Loa Loa (eye worm) hypothetical protein 0.001 0.0302 0.0302
Loa Loa (eye worm) hypothetical protein 0.0037 0.2057 0.2057
Schistosoma mansoni cathepsin S (C01 family) 0.0013 0.0516 0.0516
Brugia malayi Ligand-binding domain of nuclear hormone receptor family protein 0.0021 0.1048 0.0937
Brugia malayi Cathepsin L-like cysteine proteinase 0.0037 0.2057 0.1959
Schistosoma mansoni cathepsin F (C01 family) 0.0053 0.3108 0.3108
Loa Loa (eye worm) ctsf protein 0.0053 0.3108 0.3108
Loa Loa (eye worm) hypothetical protein 0.0013 0.0516 0.0516
Onchocerca volvulus Cathepsin F homolog 0.0053 0.3108 0.5823
Loa Loa (eye worm) cysteine protease 0.0053 0.3108 0.3108
Trichomonas vaginalis Clan CA, family C1, cathepsin L-like cysteine peptidase 0.0053 0.3108 0.8838
Trypanosoma cruzi cysteine peptidase (N-terminal), putative 0.0029 0.1567 0.1108
Onchocerca volvulus Bile acid receptor homolog 0.0021 0.1048 0.1831
Entamoeba histolytica cysteine proteinase, putative 0.0037 0.2057 0.5946
Schistosoma mansoni retinoid-x-receptor (RXR) 0.0011 0.0382 0.0382
Brugia malayi Nuclear hormone receptor family member nhr-31 0.0021 0.1048 0.0937
Trypanosoma brucei cysteine peptidase, Clan CA, family C1, Cathepsin L-like 0.0053 0.3108 0.8189
Loa Loa (eye worm) hypothetical protein 0.0007 0.0122 0.0122
Trichomonas vaginalis Clan CA, family C1, cathepsin L-like cysteine peptidase 0.0037 0.2057 0.5255
Plasmodium vivax vivapain-2 0.0053 0.3108 1
Brugia malayi tailless protein 0.001 0.0302 0.0182
Plasmodium vivax vivapain-1 0.0029 0.1567 0.4054
Brugia malayi Papain family cysteine protease containing protein 0.0013 0.0516 0.0399
Trichomonas vaginalis Clan CA, family C1, cathepsin L-like cysteine peptidase 0.0037 0.2057 0.5255
Onchocerca volvulus Cathepsin L homolog 0.0053 0.3108 0.5823
Schistosoma mansoni nuclear hormone receptor superfamily protein-related 0.001 0.0302 0.0302
Trypanosoma cruzi cysteine peptidase, putative 0.0053 0.3108 0.2733
Loa Loa (eye worm) papain family cysteine protease containing protein 0.0053 0.3108 0.3108
Trypanosoma brucei cysteine peptidase, Clan CA, family C1, Cathepsin L-like 0.0053 0.3108 0.8189
Schistosoma mansoni SmCL2-like peptidase (C01 family) 0.0029 0.1567 0.1567
Echinococcus multilocularis nuclear receptor nhr 48 0.001 0.0302 0.0182
Onchocerca volvulus 0.0007 0.0122 0.0036
Trypanosoma brucei cysteine peptidase, Clan CA, family C1, Cathepsin L-like 0.0053 0.3108 0.8189
Loa Loa (eye worm) hypothetical protein 0.0011 0.0382 0.0382
Schistosoma mansoni subfamily C1A non-peptidase homologue (C01 family) 0.0013 0.0516 0.0516
Loa Loa (eye worm) Papain cysteine protease/cathepsin propeptide inhibitor-containing protein 0.0053 0.3108 0.3108
Schistosoma mansoni FTZ-F1 nuclear receptor-like protein 0.0021 0.1048 0.1048
Brugia malayi Papain family cysteine protease containing protein 0.0013 0.0516 0.0399
Brugia malayi orphan nuclear receptor NR2E1 0.001 0.0302 0.0182
Schistosoma mansoni nuclear receptor nhr-48 0.001 0.0302 0.0302
Echinococcus multilocularis cathepsin L 0.0029 0.1567 0.1463
Brugia malayi Cathepsin L-like precursor 0.0016 0.0687 0.0572
Brugia malayi nuclear receptor subfamily 1, group D, member 1, putative 0.001 0.0302 0.0182
Schistosoma mansoni hypothetical protein 0.0007 0.0122 0.0122
Echinococcus granulosus nuclear receptor 2DBD gamma 0.001 0.0302 0.0182
Trypanosoma brucei cysteine peptidase, Clan CA, family C1, Cathepsin L-like 0.0053 0.3108 0.8189
Loa Loa (eye worm) moesin 0.0007 0.0122 0.0122
Entamoeba histolytica cysteine proteinase 1, putative 0.0029 0.1567 0.4054
Schistosoma mansoni coup transcription factor 0.0021 0.1048 0.1048
Brugia malayi ecdysone receptor 0.001 0.0302 0.0182
Echinococcus granulosus cathepsin b 0.0157 1 1
Brugia malayi cathepsin F-like cysteine proteinase 0.0016 0.0687 0.0572
Loa Loa (eye worm) nuclear hormone receptor family member nhr-1 0.0021 0.1048 0.1048
Loa Loa (eye worm) hypothetical protein 0.0016 0.0687 0.0687
Loa Loa (eye worm) hypothetical protein 0.001 0.0302 0.0302
Schistosoma mansoni subfamily C1A unassigned peptidase (C01 family) 0.0013 0.0516 0.0516
Onchocerca volvulus Steroid hormone receptor family member cnr14 homolog 0.0021 0.1048 0.1831
Loa Loa (eye worm) hypothetical protein 0.0021 0.1048 0.1048
Plasmodium vivax vivapain-2 0.0053 0.3108 1
Schistosoma mansoni nuclear hormone receptor 0.001 0.0302 0.0302
Echinococcus multilocularis nuclear receptor 2DBD gamma 0.0021 0.1048 0.0937
Echinococcus multilocularis Nuclear hormone receptor HR96 0.001 0.0302 0.0182
Echinococcus multilocularis nuclear receptor 2DBD gamma 0.0021 0.1048 0.0937
Schistosoma mansoni retinoid-x-receptor (RXR) 0.0021 0.1048 0.1048
Echinococcus multilocularis FTZ F1 alpha 0.0021 0.1048 0.0937
Onchocerca volvulus Cathepsin L homolog 0.0053 0.3108 0.5823
Echinococcus granulosus cathepsin L 0.0013 0.0516 0.0399
Brugia malayi Papain family cysteine protease containing protein 0.0013 0.0516 0.0399
Echinococcus granulosus cathepsin b 0.0157 1 1
Echinococcus multilocularis cathepsin l cysteine peptidase 0.0053 0.3108 0.3023
Echinococcus multilocularis ecdysone induced protein 78C 0.0021 0.1048 0.0937
Trichomonas vaginalis Clan CA, family C1, cathepsin L-like cysteine peptidase 0.0053 0.3108 0.8838
Brugia malayi nuclear receptor RXR 0.001 0.0302 0.0182
Trypanosoma brucei cysteine peptidase C (CPC) 0.0058 0.3449 1
Entamoeba histolytica cysteine proteinase, putative 0.0053 0.3108 1
Echinococcus multilocularis Nuclear hormone receptor HR96 0.001 0.0302 0.0182
Trichomonas vaginalis Clan CA, family C1, cathepsin L-like cysteine peptidase 0.0053 0.3108 0.8838
Brugia malayi fibroinase precursor 0.0013 0.0516 0.0399
Brugia malayi cathepsin L-like cysteine proteinase, identical 0.0016 0.0687 0.0572
Echinococcus multilocularis cathepsin L cysteine protease 0.0053 0.3108 0.3023
Schistosoma mansoni cathepsin B-like peptidase (C01 family) 0.0058 0.3449 0.3449
Echinococcus multilocularis cysteine protease 0.0053 0.3108 0.3023
Schistosoma mansoni nuclear hormone receptor 0.001 0.0302 0.0302
Echinococcus multilocularis cathepsin b 0.0157 1 1
Brugia malayi Cathepsin L-like precursor 0.0053 0.3108 0.3023
Brugia malayi Nuclear hormone receptor E75 0.001 0.0302 0.0182
Brugia malayi conserved hypotetical protein 0.001 0.0302 0.0182
Toxoplasma gondii cathepsin CPL 0.0053 0.3108 0.8838
Entamoeba histolytica cysteine protease, putative 0.0029 0.1567 0.4054
Brugia malayi hypothetical protein 0.001 0.0302 0.0182
Trichomonas vaginalis Clan CA, family C1, papain-like cysteine peptidase 0.0053 0.3108 0.8838
Trypanosoma brucei cysteine peptidase, Clan CA, family C1, Cathepsin L-like 0.0053 0.3108 0.8189
Loa Loa (eye worm) hypothetical protein 0.0016 0.0687 0.0687
Brugia malayi hypothetical protein 0.001 0.0302 0.0182
Leishmania major cysteine peptidase C (CPC),CPC cysteine peptidase, Clan CA, family C1, Cathepsin B-like 0.0058 0.3449 1
Schistosoma mansoni cathepsin B-like peptidase (C01 family) 0.0157 1 1
Onchocerca volvulus Protein ultraspiracle homolog 0.0021 0.1048 0.1831
Schistosoma mansoni cathepsin B-like peptidase (C01 family) 0.0013 0.0516 0.0516
Trichomonas vaginalis Clan CA, family C1, cathepsin L-like cysteine peptidase 0.0053 0.3108 0.8838
Brugia malayi nuclear hormone receptor family member odr-7 0.001 0.0302 0.0182
Echinococcus granulosus nuclear receptor subfamily 4 group A 0.001 0.0302 0.0182
Schistosoma mansoni merlin/moesin/ezrin/radixin 0.0007 0.0122 0.0122
Brugia malayi cathepsin Z-like cysteine proteinase 0.0013 0.0516 0.0399
Loa Loa (eye worm) papain family cysteine protease containing protein 0.0013 0.0516 0.0516
Echinococcus multilocularis Nuclear hormone receptor family member nhr 41 0.0021 0.1048 0.0937
Schistosoma mansoni cathepsin B-like peptidase (C01 family) 0.0157 1 1
Brugia malayi Nuclear hormone receptor family member nhr-19 0.0021 0.1048 0.0937
Schistosoma mansoni hypothetical protein 0.0007 0.0122 0.0122
Brugia malayi nuclear hormone receptor family member nhr-6 0.001 0.0302 0.0182
Loa Loa (eye worm) hypothetical protein 0.0085 0.5264 0.5264
Brugia malayi Papain family cysteine protease containing protein 0.0053 0.3108 0.3023
Trypanosoma cruzi cysteine peptidase, putative 0.0016 0.0687 0.018
Loa Loa (eye worm) DR-78 0.001 0.0302 0.0302
Trichomonas vaginalis Clan CA, family C1, papain-like cysteine peptidase 0.0053 0.3108 0.8838
Brugia malayi nuclear receptor RXR 0.0011 0.0382 0.0263
Brugia malayi Cathepsin L-like precursor 0.0053 0.3108 0.3023
Trichomonas vaginalis Clan CA, family C1, papain-like cysteine peptidase 0.0053 0.3108 0.8838
Brugia malayi Papain family cysteine protease containing protein 0.0029 0.1567 0.1463
Loa Loa (eye worm) hypothetical protein 0.0011 0.0382 0.0382
Brugia malayi Nuclear hormone receptor-like 1 0.0011 0.0382 0.0263
Echinococcus multilocularis cathepsin L 0.0013 0.0516 0.0399
Echinococcus granulosus nuclear receptor subfamily 1 group D 0.0011 0.0382 0.0263
Brugia malayi Cathepsin L-like precursor 0.0037 0.2057 0.1959
Onchocerca volvulus 0.0053 0.3108 0.5823
Brugia malayi Nuclear hormone receptor family member nhr-25 0.0021 0.1048 0.0937
Echinococcus multilocularis cathepsin b 0.0157 1 1
Brugia malayi cathepsin L precursor 0.0013 0.0516 0.0399
Loa Loa (eye worm) nuclear hormone receptor family member nhr-31 0.0021 0.1048 0.1048
Onchocerca volvulus 0.0053 0.3108 0.5823
Brugia malayi cathepsin L-like cysteine proteinase 0.0013 0.0516 0.0399
Loa Loa (eye worm) papain family cysteine protease containing protein 0.0016 0.0687 0.0687
Schistosoma mansoni dipeptidyl-peptidase I (C01 family) 0.0013 0.0516 0.0516
Brugia malayi nuclear hormone receptor 0.001 0.0302 0.0182
Loa Loa (eye worm) hypothetical protein 0.001 0.0302 0.0302
Schistosoma mansoni nuclear receptor 0.001 0.0302 0.0302
Schistosoma mansoni cathepsin C 0.0013 0.0516 0.0516
Entamoeba histolytica cysteine proteinase, putative 0.0029 0.1567 0.4054
Echinococcus multilocularis thyroid hormone receptor alpha 0.0021 0.1048 0.0937
Echinococcus multilocularis FTZ F1 nuclear receptor protein 0.0021 0.1048 0.0937
Loa Loa (eye worm) steroid hormone receptor 0.0021 0.1048 0.1048
Schistosoma mansoni RAR-like nuclear receptor 0.0021 0.1048 0.1048
Onchocerca volvulus 0.0013 0.0516 0.08
Brugia malayi cahepsin L-like non-peptiedase homolog 0.0013 0.0516 0.0399
Echinococcus granulosus FTZ F1 nuclear receptor protein 0.0021 0.1048 0.0937
Echinococcus granulosus FTZ F1 alpha 0.0021 0.1048 0.0937
Echinococcus granulosus COUP TF:Svp nuclear hormone receptor 0.0021 0.1048 0.0937
Loa Loa (eye worm) hypothetical protein 0.001 0.0302 0.0302
Brugia malayi Cathepsin L-like precursor 0.0053 0.3108 0.3023
Loa Loa (eye worm) papain family cysteine protease containing protein 0.0013 0.0516 0.0516
Brugia malayi ecdysteroid receptor 0.0021 0.1048 0.0937
Loa Loa (eye worm) hypothetical protein 0.0007 0.0122 0.0122
Schistosoma mansoni hypothetical protein 0.0007 0.0122 0.0122
Trypanosoma brucei cysteine peptidase, Clan CA, family C1, Cathepsin L-like 0.0053 0.3108 0.8189
Trypanosoma brucei cysteine peptidase, Clan CA, family C1, Cathepsin L-like 0.0053 0.3108 0.8189
Schistosoma mansoni cathepsin B-like peptidase (C01 family) 0.0013 0.0516 0.0516
Echinococcus multilocularis hepatocyte nuclear factor 4 alpha 0.0021 0.1048 0.0937
Schistosoma mansoni steroid hormone receptor ad4bp 0.0021 0.1048 0.1048
Loa Loa (eye worm) nuclear receptor NHR-67 0.001 0.0302 0.0302
Brugia malayi Nuclear hormone receptor family member nhr-19 0.0021 0.1048 0.0937
Trypanosoma cruzi cysteine peptidase C (CPC), putative 0.0058 0.3449 0.3093
Schistosoma mansoni ecdysone-induced protein 78c (dr-78) 0.0011 0.0382 0.0382
Loa Loa (eye worm) nuclear Hormone Receptor family member 0.0021 0.1048 0.1048
Echinococcus granulosus cathepsin L cysteine protease 0.0029 0.1567 0.1463
Entamoeba histolytica cysteine proteinase, putative 0.0029 0.1567 0.4054
Echinococcus granulosus Nuclear hormone receptor HR96 0.001 0.0302 0.0182
Schistosoma mansoni merlin/moesin/ezrin/radixin 0.0007 0.0122 0.0122
Trypanosoma cruzi cysteine peptidase, clan CA, family C1, cathepsin L-like, putative 0.0037 0.2057 0.1625
Entamoeba histolytica cysteine protease, putative 0.0029 0.1567 0.4054
Onchocerca volvulus Nuclear receptor subfamily 6 group A member 1 homolog 0.001 0.0302 0.0385
Echinococcus granulosus thyroid hormone receptor alpha 0.001 0.0302 0.0182
Loa Loa (eye worm) fibroinase 0.0053 0.3108 0.3108
Schistosoma mansoni cathepsin B-like peptidase (C01 family) 0.0013 0.0516 0.0516
Loa Loa (eye worm) hypothetical protein 0.0037 0.2057 0.2057
Plasmodium vivax unspecified product 0.0016 0.0687 0.066
Onchocerca volvulus 0.001 0.0302 0.0385
Loa Loa (eye worm) hypothetical protein 0.0013 0.0516 0.0516
Echinococcus multilocularis nuclear receptor subfamily 1 group D 0.0011 0.0382 0.0263
Entamoeba histolytica cysteine protease, putative 0.0029 0.1567 0.4054
Brugia malayi photoreceptor-specific nuclear receptor 0.0021 0.1048 0.0937
Echinococcus granulosus cathepsin l1 0.0037 0.2057 0.1959
Loa Loa (eye worm) hypothetical protein 0.0011 0.0382 0.0382
Trichomonas vaginalis Clan CA, family C1, cathepsin L-like cysteine peptidase 0.0053 0.3108 0.8838
Brugia malayi cathepsin L-like precursor 0.0037 0.2057 0.1959
Loa Loa (eye worm) hypothetical protein 0.0037 0.2057 0.2057
Echinococcus granulosus Nuclear hormone receptor family member nhr 41 0.0021 0.1048 0.0937
Loa Loa (eye worm) nuclear hormone receptor family member nhr-49 0.0021 0.1048 0.1048
Brugia malayi Nuclear hormone receptor family member nhr-1 0.0021 0.1048 0.0937
Entamoeba histolytica cysteine protease, putative 0.0029 0.1567 0.4054
Plasmodium vivax unspecified product 0.0029 0.1567 0.4054
Trypanosoma cruzi cysteine proteinase, putative 0.0029 0.1567 0.1108
Loa Loa (eye worm) hypothetical protein 0.0007 0.0122 0.0122
Schistosoma mansoni nuclear receptor 2DBD-gamma 0.0021 0.1048 0.1048
Schistosoma mansoni cathepsin B-like peptidase (C01 family) 0.0013 0.0516 0.0516
Trypanosoma cruzi cysteine peptidase C (CPC), putative 0.0157 1 1
Trypanosoma cruzi cysteine peptidase, putative 0.0029 0.1567 0.1108
Entamoeba histolytica cysteine protease, putative 0.0053 0.3108 1
Loa Loa (eye worm) hypothetical protein 0.0013 0.0516 0.0516
Onchocerca volvulus 0.0021 0.1048 0.1831
Echinococcus granulosus ecdysone induced protein 78C 0.0021 0.1048 0.0937
Trichomonas vaginalis Clan CA, family C1, papain-like cysteine peptidase 0.0053 0.3108 0.8838
Onchocerca volvulus 0.0007 0.0122 0.0036
Loa Loa (eye worm) hypothetical protein 0.001 0.0302 0.0302
Brugia malayi Nuclear hormone receptor E75 0.001 0.0302 0.0182
Trichomonas vaginalis Clan CA, family C1, papain-like cysteine peptidase 0.0053 0.3108 0.8838
Trypanosoma brucei cysteine peptidase, Clan CA, family C1, Cathepsin L-like 0.0053 0.3108 0.8189
Loa Loa (eye worm) hypothetical protein 0.0021 0.1048 0.1048
Loa Loa (eye worm) hypothetical protein 0.0013 0.0516 0.0516
Trypanosoma brucei cysteine peptidase, Clan CA, family C1, Cathepsin L-like 0.0053 0.3108 0.8189
Brugia malayi cathepsin F-like cysteine proteinase 0.0013 0.0516 0.0399
Trichomonas vaginalis Clan CA, family C1, cathepsin L or K-like cysteine peptidase 0.0053 0.3108 0.8838
Entamoeba histolytica cysteine protease, putative 0.0029 0.1567 0.4054
Loa Loa (eye worm) hypothetical protein 0.001 0.0302 0.0302
Schistosoma mansoni hepatocyte nuclear factor 4-alpha (hnf-4-alpha) 0.001 0.0302 0.0302
Trypanosoma brucei cysteine peptidase, Clan CA, family C1, Cathepsin L-like 0.0053 0.3108 0.8189
Loa Loa (eye worm) cathepsin B 0.0058 0.3449 0.3449
Echinococcus multilocularis cathepsin l cysteine peptidase 0.0053 0.3108 0.3023
Trichomonas vaginalis Clan CA, family C1, cathepsin L-like cysteine peptidase 0.0029 0.1567 0.3583
Entamoeba histolytica cysteine protease, putative 0.0029 0.1567 0.4054
Echinococcus granulosus nuclear receptor 2DBD gamma 0.0021 0.1048 0.0937
Schistosoma mansoni cathepsin F (C01 family) 0.0037 0.2057 0.2057
Loa Loa (eye worm) hypothetical protein 0.001 0.0302 0.0302
Onchocerca volvulus 0.0053 0.3108 0.5823
Trichomonas vaginalis Clan CA, family C1, cathepsin L-like cysteine peptidase 0.0053 0.3108 0.8838
Loa Loa (eye worm) hypothetical protein 0.0013 0.0516 0.0516
Schistosoma mansoni cathepsin B-like peptidase (C01 family) 0.0013 0.0516 0.0516
Schistosoma mansoni SmCB2 peptidase (C01 family) 0.0157 1 1
Entamoeba histolytica cysteine protease, putative 0.0029 0.1567 0.4054
Toxoplasma gondii cathepsin B 0.0058 0.3449 1
Schistosoma mansoni nuclear hormone receptor nor-1/nor-2 0.0021 0.1048 0.1048
Brugia malayi Cathepsin L-like precursor 0.0053 0.3108 0.3023
Onchocerca volvulus 0.0053 0.3108 0.5823
Brugia malayi Nuclear hormone receptor-like 1 0.0021 0.1048 0.0937
Loa Loa (eye worm) hypothetical protein 0.0021 0.1048 0.1048
Loa Loa (eye worm) cysteine proteinase cathepsin Z 0.0013 0.0516 0.0516
Trypanosoma cruzi cysteine peptidase, putative 0.0053 0.3108 0.2733
Trichomonas vaginalis Clan CA, family C1, cathepsin L-like cysteine peptidase 0.0029 0.1567 0.3583
Plasmodium vivax vivapain-3 0.0029 0.1567 0.4054
Brugia malayi Steroid receptor seven-up type 2 0.0021 0.1048 0.0937
Brugia malayi cathepsin Z-like cysteine proteinase 0.0013 0.0516 0.0399
Schistosoma mansoni photoreceptor-specific nuclear receptor related 0.0021 0.1048 0.1048
Onchocerca volvulus 0.0085 0.5264 1
Trichomonas vaginalis Clan CA, family C1, cathepsin L-like cysteine peptidase 0.0053 0.3108 0.8838
Echinococcus multilocularis cathepsin L cysteine protease 0.0053 0.3108 0.3023
Schistosoma mansoni SmCL2-like peptidase (C01 family) 0.0029 0.1567 0.1567
Schistosoma mansoni cathepsin B (C01 family) 0.0013 0.0516 0.0516
Echinococcus granulosus retinoic acid receptor rxr beta a 0.0021 0.1048 0.0937
Schistosoma mansoni nuclear receptor 0.001 0.0302 0.0302
Brugia malayi Cathepsin L-like precursor 0.0053 0.3108 0.3023
Loa Loa (eye worm) hypothetical protein 0.0157 1 1
Onchocerca volvulus 0.0053 0.3108 0.5823
Loa Loa (eye worm) hypothetical protein 0.0021 0.1048 0.1048
Loa Loa (eye worm) hypothetical protein 0.0016 0.0687 0.0687
Echinococcus granulosus cathepsin L cysteine proteinase 0.0053 0.3108 0.3023
Entamoeba histolytica cysteine protease, putative 0.0029 0.1567 0.4054
Trichomonas vaginalis Clan CA, family C1, papain-like cysteine peptidase 0.0053 0.3108 0.8838
Brugia malayi hypothetical protein 0.0011 0.0382 0.0263
Brugia malayi nuclear hormone receptor 0.0021 0.1048 0.0937
Trichomonas vaginalis Clan CA, family C1, cathepsin L-like cysteine peptidase 0.0053 0.3108 0.8838

Activities

Activity type Activity value Assay description Source Reference
Activity (binding) 0 Displacement of [3H]2-(4-{2-[3-(2,4-difluoro-phenyl)-1-heptyl-ureido]-ethyl}-phenoxy)-2-methyl butyric acid from human PPARalpha ChEMBL. 17129725
EC50 (functional) = 5 nM Agonist activity at human Gal4-PPARdelta expressed in CV1 cells by transactivation assay ChEMBL. 17129725
EC50 (functional) = 5 nM Agonist activity at human Gal4-PPARdelta expressed in CV1 cells by transactivation assay ChEMBL. 17129725
EC50 (functional) = 576 nM Agonist activity at PPARgamma in CV1 cells by transactivation assay ChEMBL. 17129725
EC50 (functional) = 576 nM Agonist activity at PPARgamma in CV1 cells by transactivation assay ChEMBL. 17129725
Efficacy (binding) < 20 % Efficacy at human Gal4-PPARalpha expressed in CV1 cells at 10 uM relative to control by transactivation assay ChEMBL. 17129725
Efficacy (binding) < 20 % Efficacy at human Gal4-PPARalpha expressed in CV1 cells at 10 uM relative to control by transactivation assay ChEMBL. 17129725
IC50 (binding) = 5 nM Displacement of [3H]2-(4-{2-[3-(2,4-difluoro-phenyl)-1-heptyl-ureido]-ethyl}-phenoxy)-2-methyl butyric acid from human PPARdelta ChEMBL. 17129725
IC50 (binding) = 5 nM Displacement of [3H]2-(4-{2-[3-(2,4-difluoro-phenyl)-1-heptyl-ureido]-ethyl}-phenoxy)-2-methyl butyric acid from human PPARdelta ChEMBL. 17129725
IC50 (binding) = 520 nM Displacement of [3H]2-methyl-2-(4-{3-[porpyl-(5-pyridin-2yl-thiophene-2-sulfonyl)-amino]-propyl}-phenoxy)-propionic acid from human PPARgamma ChEMBL. 17129725
IC50 (binding) = 520 nM Displacement of [3H]2-methyl-2-(4-{3-[porpyl-(5-pyridin-2yl-thiophene-2-sulfonyl)-amino]-propyl}-phenoxy)-propionic acid from human PPARgamma ChEMBL. 17129725

Phenotypes

Whole-cell/tissue/organism interactions

We have no records of whole-cell/tissue assays done with this compound What does this mean?

Many chemical entities in TDR Targets come from high-throughput screenings with whole cells or tissue samples, and not all assayed compounds have been tested against a single a single target protein, probably because they get ruled out during screening process. Even if these compounds may have not been of interest in the original screening, they may come as interesting leads for other screening assays. Furthermore, we may be able to propose drug-target associations using chemical similarities and network patterns.

Annotated phenotypes:

We have no manually annotated phenotypes for this drug. What does this mean? / Care to help?
In TDR Targets, information about phenotypes that are caused by drugs, or by genetic manipulation of cells (e.g. gene knockouts or knockdowns) is manually curated from the literature. These descriptions help to describe the potential of the target for drug development. If no information is available for this gene or if the information is incomplete, this may mean that i) the papers containing this information either appeared after the curation effort for this organism was carried out or they were inadvertently missed by curators; or that ii) the curation effort for this organism has not yet started.
 
In any case, if you have information about papers containing relevant validation data for this target, please log in using your TDR Targets username and password and send them to us using the corresponding form in this page (only visible to registered users) or contact us.

External resources for this compound

Bibliographic References

1 literature reference was collected for this gene.

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