Detailed information for compound 432070

Basic information

Technical information
  • TDR Targets ID: 432070
  • Name: 2-[4-[[3-(4-chlorophenyl)-1,2,4-thiadiazol-5- yl]methylsulfanyl]-2-methylphenoxy]-2-methylp ropanoic acid
  • MW: 434.959 | Formula: C20H19ClN2O3S2
  • H donors: 1 H acceptors: 4 LogP: 5.61 Rotable bonds: 7
    Rule of 5 violations (Lipinski): 1
  • SMILES: Clc1ccc(cc1)c1nsc(n1)CSc1ccc(c(c1)C)OC(C(=O)O)(C)C
  • InChi: 1S/C20H19ClN2O3S2/c1-12-10-15(8-9-16(12)26-20(2,3)19(24)25)27-11-17-22-18(23-28-17)13-4-6-14(21)7-5-13/h4-10H,11H2,1-3H3,(H,24,25)
  • InChiKey: CHWARMCOUPSGEK-UHFFFAOYSA-N  


Substructure search Similarity search

Network

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Synonyms

  • 2-[4-[[3-(4-chlorophenyl)-1,2,4-thiadiazol-5-yl]methylsulfanyl]-2-methyl-phenoxy]-2-methyl-propanoic acid
  • 2-[4-[[3-(4-chlorophenyl)-1,2,4-thiadiazol-5-yl]methylthio]-2-methylphenoxy]-2-methylpropanoic acid
  • 2-[4-[[3-(4-chlorophenyl)-1,2,4-thiadiazol-5-yl]methylthio]-2-methyl-phenoxy]-2-methyl-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 alpha Starlite/ChEMBL References
Homo sapiens peroxisome proliferator-activated receptor gamma Starlite/ChEMBL References

Predicted pathogen targets for this compound

By orthology
Species Potential target Known druggable target/s Ortholog Group
Schistosoma mansoni nuclear hormone receptor superfamily protein-related Get druggable targets OG5_137778 All targets in OG5_137778
Schistosoma japonicum ko:K08701 nuclear receptor, subfamily 1, invertebrate, putative Get druggable targets OG5_137778 All targets in OG5_137778
Schistosoma japonicum IPR008946,Nuclear receptor, ligand-binding,domain-containing Get druggable targets OG5_137778 All targets in OG5_137778
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 %
Brugia malayi ecdysteroid receptor peroxisome proliferator-activated receptor alpha 468 aa 397 aa 25.4 %
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
Trypanosoma brucei ribonucleoside-diphosphate reductase large chain 0.088 0.3261 1
Treponema pallidum ribonucleotide-diphosphate reductase subunit alpha 0.088 0.3261 1
Trichomonas vaginalis conserved hypothetical protein 0.0057 0.0093 0.0196
Toxoplasma gondii ribonucleoside-diphosphate reductase large chain 0.088 0.3261 1
Schistosoma mansoni subfamily A1A unassigned peptidase (A01 family) 0.0237 0.0788 0.0788
Echinococcus multilocularis disintegrin and metalloproteinase 0.0055 0.0087 0.0266
Echinococcus granulosus COUP TF:Svp nuclear hormone receptor 0.0034 0.0004 0.0011
Trichomonas vaginalis conserved hypothetical protein 0.0057 0.0093 0.0196
Echinococcus granulosus dna polymerase kappa 0.0041 0.0034 0.0104
Giardia lamblia High cysteine membrane protein Group 2 0.0054 0.0081 0.5
Plasmodium falciparum plasmepsin V 0.0124 0.0352 0.0927
Brugia malayi SRC-1 0.0043 0.0042 0.0128
Loa Loa (eye worm) SRC-1 0.0043 0.0042 0.0128
Plasmodium vivax ribonucleoside-diphosphate reductase small chain, putative 0.0138 0.0407 0.1099
Trypanosoma cruzi subtilisin-like serine peptidase, putative 0.0057 0.0093 0.0185
Loa Loa (eye worm) hypothetical protein 0.0034 0.0004 0.0011
Echinococcus granulosus ribonucleoside diphosphate reductase large 0.088 0.3261 1
Schistosoma mansoni site-1 peptidase (S08 family) 0.0057 0.0093 0.0093
Mycobacterium tuberculosis Ribonucleoside-diphosphate reductase (alpha chain) NrdE (ribonucleotide reductase small subunit) (R1F protein) 0.0831 0.3072 1
Echinococcus multilocularis insulin growth factor 1 receptor beta 0.0094 0.0238 0.073
Brugia malayi Furin-like cysteine rich region family protein 0.0293 0.1004 0.3078
Loa Loa (eye worm) ribonucleoside-diphosphate reductase large subunit 0.088 0.3261 1
Loa Loa (eye worm) hypothetical protein 0.0341 0.1185 0.3635
Schistosoma mansoni tyrosine kinase 0.0155 0.0473 0.0473
Echinococcus multilocularis FTZ F1 nuclear receptor protein 0.0034 0.0004 0.0011
Brugia malayi Nuclear hormone receptor-like 1 0.0034 0.0004 0.0011
Trichomonas vaginalis Clan SB, family S8, subtilisin-like serine peptidase 0.0057 0.0093 0.0196
Loa Loa (eye worm) hypothetical protein 0.0034 0.0004 0.0011
Brugia malayi Calcitonin receptor-like protein seb-1 0.01 0.0257 0.0789
Brugia malayi Corticotropin releasing factor receptor 2 precursor, putative 0.0406 0.1436 0.4403
Brugia malayi Integrin alpha cytoplasmic region family protein 0.0341 0.1185 0.3635
Schistosoma mansoni cathepsin D (A01 family) 0.0527 0.1901 0.1901
Echinococcus granulosus nuclear receptor 2DBD gamma 0.0034 0.0004 0.0011
Chlamydia trachomatis ribonucleoside-diphosphate reductase subunit alpha 0.088 0.3261 1
Echinococcus multilocularis tyrosine protein kinase Blk 0.0035 0.0009 0.0027
Plasmodium vivax M1-family alanyl aminopeptidase, putative 0.0298 0.1022 0.3015
Brugia malayi proprotein convertase 2 0.0141 0.0418 0.1283
Schistosoma mansoni integrin alpha-ps 0.0105 0.0279 0.0279
Echinococcus multilocularis membrane bound transcription factor site 1 0.0057 0.0093 0.0286
Brugia malayi celfurPC protein 0.0167 0.0517 0.1586
Brugia malayi nuclear hormone receptor 0.0034 0.0004 0.0011
Trichomonas vaginalis Clan SB, family S8, subtilisin-like serine peptidase 0.0057 0.0093 0.0196
Brugia malayi Integrin alpha pat-2 precursor 0.045 0.1607 0.4929
Schistosoma mansoni tyrosine kinase 0.0094 0.0238 0.0238
Mycobacterium leprae PROBABLE PROLINE RICH MEMBRANE-ANCHORED MYCOSIN MYCP5 (SERINE PROTEASE) (SUBTILISIN-LIKE PROTEASE) (SUBTILASE-LIKE) (MYCOSIN-5) 0.0057 0.0093 0.0127
Trypanosoma brucei DNA polymerase kappa, putative 0.0041 0.0034 0.0079
Echinococcus multilocularis dna polymerase kappa 0.0041 0.0034 0.0104
Trichomonas vaginalis conserved hypothetical protein 0.0057 0.0093 0.0196
Trichomonas vaginalis Clan SB, family S8, subtilisin-like serine peptidase 0.0057 0.0093 0.0196
Brugia malayi ADAM-TS Spacer 1 family protein 0.0078 0.0174 0.0534
Trichomonas vaginalis Clan SB, family S8, subtilisin-like serine peptidase 0.0057 0.0093 0.0196
Brugia malayi latrophilin 2 splice variant baaae 0.0068 0.0136 0.0418
Brugia malayi Nuclear hormone receptor family member nhr-3 0.0034 0.0004 0.0011
Loa Loa (eye worm) hypothetical protein 0.0055 0.0087 0.0266
Echinococcus granulosus disintegrin and metalloproteinase 0.0055 0.0087 0.0266
Echinococcus multilocularis TNFR CD27 30 40 95 cysteine rich region 0.0045 0.0048 0.0148
Schistosoma mansoni subfamily A1A unassigned peptidase (A01 family) 0.0124 0.0352 0.0352
Echinococcus granulosus insulin receptor 0.0094 0.0238 0.073
Loa Loa (eye worm) reprolysin 0.0133 0.0387 0.1187
Trichomonas vaginalis Clan SB, family S8, subtilisin-like serine peptidase 0.0057 0.0093 0.0196
Echinococcus multilocularis tyrosine protein kinase Src42A 0.0043 0.0042 0.0128
Trypanosoma brucei DNA polymerase kappa, putative 0.0041 0.0034 0.0079
Schistosoma mansoni tyrosine kinase 0.0043 0.0042 0.0042
Echinococcus multilocularis tumor necrosis factor receptor superfamily 0.0045 0.0048 0.0148
Loa Loa (eye worm) hypothetical protein 0.0037 0.0016 0.0049
Trypanosoma cruzi ribonucleoside-diphosphate reductase large chain, putative 0.088 0.3261 1
Mycobacterium ulcerans proline rich membrane-anchored mycosin MycP5 0.0057 0.0093 0.0196
Plasmodium vivax subtilisin-like serine protease, putative 0.0057 0.0093 0.012
Toxoplasma gondii aspartyl protease ASP3 0.0124 0.0352 0.0817
Plasmodium falciparum plasmepsin VIII, putative 0.0124 0.0352 0.0927
Toxoplasma gondii aspartyl protease ASP1 0.0237 0.0788 0.2194
Loa Loa (eye worm) hypothetical protein 0.0237 0.0788 0.2417
Plasmodium falciparum plasmepsin IV 0.0237 0.0788 0.2287
Toxoplasma gondii aspartyl proteinase (eimepsin), putative 0.0237 0.0788 0.2194
Mycobacterium leprae RIBONUCLEOSIDE-DIPHOSPHATE REDUCTASE (ALPHA CHAIN) NRDE (RIBONUCLEOTIDE REDUCTASE SMALL SUBUNIT) (R1F PROTEIN) 0.0831 0.3072 1
Trichomonas vaginalis Clan SB, family S8, subtilisin-like serine peptidase 0.0057 0.0093 0.0196
Plasmodium vivax aspartyl protease, putative 0.0124 0.0352 0.0927
Echinococcus granulosus insulin growth factor 1 receptor beta 0.0094 0.0238 0.073
Echinococcus granulosus Blood coagulation inhibitor Disintegrin 0.0055 0.0087 0.0266
Loa Loa (eye worm) TK/EGFR protein kinase 0.0293 0.1004 0.3078
Trichomonas vaginalis Clan AA, family A1, cathepsin D-like aspartic peptidase 0.0237 0.0788 0.2484
Echinococcus granulosus disks large 3 0.0048 0.006 0.0183
Echinococcus granulosus tyrosine protein kinase Fyn 0.0043 0.0042 0.0128
Echinococcus granulosus integrin alpha ps 0.0202 0.0651 0.1997
Mycobacterium tuberculosis Probable ribonucleoside-diphosphate reductase (large subunit) NrdZ (ribonucleotide reductase) 0.0299 0.1024 0.3192
Toxoplasma gondii eukaryotic aspartyl protease superfamily protein 0.0124 0.0352 0.0817
Mycobacterium tuberculosis Probable membrane-anchored mycosin MycP4 (serine protease) (subtilisin-like protease) (subtilase-like) (mycosin-4) 0.0057 0.0093 0.0098
Plasmodium vivax subtilisin-like protease 1 0.0732 0.2694 0.823
Toxoplasma gondii aminopeptidase n, putative 0.0298 0.1022 0.293
Plasmodium falciparum subtilisin-like protease 3 0.0057 0.0093 0.012
Brugia malayi Ligand-binding domain of nuclear hormone receptor family protein 0.0034 0.0004 0.0011
Loa Loa (eye worm) hypothetical protein 0.0406 0.1436 0.4403
Echinococcus granulosus kelch ECH associated protein 1 0.0092 0.023 0.0704
Loa Loa (eye worm) hypothetical protein 0.0041 0.0032 0.01
Mycobacterium tuberculosis Ribonucleoside-diphosphate reductase (beta chain) NrdB (ribonucleotide reductase small chain) 0.0138 0.0407 0.1142
Trichomonas vaginalis Clan SB, family S8, subtilisin-like serine peptidase 0.0085 0.0201 0.055
Echinococcus multilocularis tyrosine protein kinase Fyn 0.0035 0.0009 0.0027
Trichomonas vaginalis Clan SB, family S8, subtilisin-like serine peptidase 0.0057 0.0093 0.0196
Brugia malayi Subtilase family protein 0.0057 0.0093 0.0286
Echinococcus granulosus Nuclear hormone receptor family member nhr 41 0.0034 0.0004 0.0011
Trypanosoma brucei ribonucleoside-diphosphate reductase small chain 0.0138 0.0407 0.1227
Schistosoma mansoni tumor necrosis factor receptor related 0.0045 0.0048 0.0048
Loa Loa (eye worm) nuclear Hormone Receptor family member 0.0034 0.0004 0.0011
Echinococcus granulosus integrin alpha 3 0.0345 0.1203 0.3689
Loa Loa (eye worm) nuclear hormone receptor family member nhr-40 0.0034 0.0004 0.0011
Trichomonas vaginalis Clan SB, family S8, subtilisin-like serine peptidase 0.0057 0.0093 0.0196
Schistosoma mansoni coup transcription factor 0.0034 0.0004 0.0004
Brugia malayi Pepsin A precursor 0.0124 0.0352 0.108
Brugia malayi Nuclear hormone receptor family member nhr-49 0.0034 0.0004 0.0011
Trypanosoma brucei DNA polymerase IV, putative 0.0041 0.0034 0.0079
Mycobacterium ulcerans ribonucleotide-diphosphate reductase subunit beta 0.0047 0.0055 0.007
Plasmodium falciparum plasmepsin IX 0.0124 0.0352 0.0927
Mycobacterium ulcerans ribonucleotide-diphosphate reductase subunit alpha 0.0831 0.3072 1
Schistosoma mansoni FTZ-F1 nuclear receptor-like protein 0.0034 0.0004 0.0004
Echinococcus multilocularis FTZ F1 alpha 0.0034 0.0004 0.0011
Brugia malayi ADAMTS-like protease 0.0078 0.0174 0.0534
Echinococcus multilocularis neuroendocrine convertase 2 0.0141 0.0418 0.1283
Brugia malayi Nuclear hormone receptor family member nhr-19 0.0034 0.0004 0.0011
Loa Loa (eye worm) TK protein kinase 0.0035 0.0009 0.0027
Echinococcus granulosus diuretic hormone 44 receptor GPRdih2 0.0338 0.1174 0.36
Loa Loa (eye worm) endoprotease bli-4 0.0195 0.0625 0.1916
Loa Loa (eye worm) aspartyl protease 6 0.0124 0.0352 0.108
Trypanosoma cruzi subtilisin-like serine peptidase, putative 0.0057 0.0093 0.0185
Echinococcus multilocularis ecdysone induced protein 78C 0.0034 0.0004 0.0011
Brugia malayi aspartic protease BmAsp-2, identical 0.0124 0.0352 0.108
Trichomonas vaginalis Clan SB, family S8, subtilisin-like serine peptidase 0.0085 0.0201 0.055
Loa Loa (eye worm) steroid hormone receptor 0.0034 0.0004 0.0011
Brugia malayi Membrane-bound transcription factor site-1 protease precursor 0.0057 0.0093 0.0286
Schistosoma mansoni nuclear hormone receptor nor-1/nor-2 0.0034 0.0004 0.0004
Echinococcus granulosus retinoic acid receptor rxr beta a 0.0034 0.0004 0.0011
Toxoplasma gondii aminopeptidase N protein 0.0298 0.1022 0.293
Echinococcus multilocularis tyrosine protein kinase Fyn 0.0043 0.0042 0.0128
Loa Loa (eye worm) nuclear hormone receptor family member nhr-49 0.0034 0.0004 0.0011
Trypanosoma brucei ribonucleoside-diphosphate reductase small chain 0.0138 0.0407 0.1227
Echinococcus multilocularis 0.0167 0.0517 0.1586
Echinococcus granulosus 3'partial|tyrosine protein kinase Fgr 0.0043 0.0042 0.0128
Plasmodium vivax aspartyl protease, putative 0.0124 0.0352 0.0927
Loa Loa (eye worm) hypothetical protein 0.0034 0.0004 0.0011
Echinococcus granulosus neuroendocrine convertase 2 0.0141 0.0418 0.1283
Schistosoma mansoni subfamily S8B unassigned peptidase (S08 family) 0.0057 0.0093 0.0093
Wolbachia endosymbiont of Brugia malayi ribonucleotide-diphosphate reductase subunit alpha 0.0831 0.3072 1
Plasmodium vivax ribonucleoside-diphosphate reductase large chain, putative 0.088 0.3261 1
Schistosoma mansoni thyroid hormone receptor 0.0034 0.0004 0.0004
Mycobacterium leprae Possible secreted protease 0.0057 0.0093 0.0127
Mycobacterium tuberculosis Probable alanine and proline rich membrane-anchored mycosin MycP2 (serine protease) (subtilisin-like protease) (subtilase-like) 0.0057 0.0093 0.0098
Brugia malayi Steroid receptor seven-up type 2 0.0034 0.0004 0.0011
Trichomonas vaginalis Clan SB, family S8, subtilisin-like serine peptidase 0.0057 0.0093 0.0196
Plasmodium falciparum plasmepsin I 0.0237 0.0788 0.2287
Echinococcus multilocularis 0.0091 0.0223 0.0683
Plasmodium vivax subtilisin-like protease 2, putative 0.0057 0.0093 0.012
Echinococcus multilocularis integrin alpha 3 0.0345 0.1203 0.3689
Trypanosoma brucei ribonucleoside-diphosphate reductase small chain 0.0138 0.0407 0.1227
Brugia malayi hypothetical protein 0.0124 0.0352 0.108
Echinococcus granulosus membrane bound transcription factor site 1 0.0057 0.0093 0.0286
Echinococcus granulosus cathepsin d lysosomal aspartyl protease 0.0237 0.0788 0.2417
Loa Loa (eye worm) hypothetical protein 0.0195 0.0625 0.1916
Mycobacterium ulcerans membrane-anchored mycosin MycP3 0.0057 0.0093 0.0196
Trypanosoma brucei DNA polymerase kappa, putative 0.0041 0.0034 0.0079
Echinococcus multilocularis epidermal growth factor receptor 0.0158 0.0483 0.1481
Trichomonas vaginalis Clan SB, family S8, subtilisin-like serine peptidase 0.0057 0.0093 0.0196
Loa Loa (eye worm) hypothetical protein 0.0034 0.0004 0.0011
Schistosoma mansoni ribonucleoside-diphosphate reductase small chain 0.0138 0.0407 0.0407
Brugia malayi Nuclear hormone receptor family member nhr-41 0.0034 0.0004 0.0011
Brugia malayi nuclear receptor NHR-88 0.0034 0.0004 0.0011
Loa Loa (eye worm) hypothetical protein 0.0078 0.0174 0.0534
Echinococcus multilocularis nuclear receptor 2DBD gamma 0.0034 0.0004 0.0011
Echinococcus multilocularis ribonucleoside diphosphate reductase subunit 0.0138 0.0407 0.1249
Echinococcus granulosus tyrosine protein kinase Fyn 0.0043 0.0042 0.0128
Schistosoma mansoni RAR-like nuclear receptor 0.0034 0.0004 0.0004
Schistosoma mansoni subfamily M12B unassigned peptidase (M12 family) 0.0133 0.0387 0.0387
Brugia malayi Ligand-binding domain of nuclear hormone receptor family protein 0.0034 0.0004 0.0011
Schistosoma mansoni subfamily A1A unassigned peptidase (A01 family) 0.0124 0.0352 0.0352
Brugia malayi aspartic protease BmAsp-1, identical 0.0124 0.0352 0.108
Trypanosoma brucei subtilisin peptidase 0.0057 0.0093 0.0262
Echinococcus granulosus epidermal growth factor receptor 0.0158 0.0483 0.1481
Plasmodium falciparum plasmepsin II 0.0237 0.0788 0.2287
Echinococcus multilocularis COUP TF:Svp nuclear hormone receptor 0.0034 0.0004 0.0011
Schistosoma mansoni integrin alpha 0.045 0.1607 0.1607
Echinococcus multilocularis adam 0.0174 0.0545 0.1672
Loa Loa (eye worm) hypothetical protein 0.0124 0.0352 0.108
Trypanosoma cruzi serine peptidase, clan SB, family S8-like protein 0.0057 0.0093 0.0185
Trichomonas vaginalis Clan SB, family S8, subtilisin-like serine peptidase 0.0085 0.0201 0.055
Mycobacterium leprae PROBABLE MEMBRANE-ANCHORED MYCOSIN MYCP3 (SERINE PROTEASE) (SUBTILISIN-LIKE PROTEASE) (SUBTILASE-LIKE) (MYCOSIN-3) 0.0057 0.0093 0.0127
Trichomonas vaginalis Clan SB, family S8, subtilisin-like serine peptidase 0.0057 0.0093 0.0196
Trypanosoma brucei DNA polymerase kappa, putative 0.0041 0.0034 0.0079
Echinococcus granulosus tyrosine protein kinase Src42A 0.0043 0.0042 0.0128
Schistosoma mansoni subfamily S8B unassigned peptidase (S08 family) 0.0195 0.0625 0.0625
Plasmodium vivax aspartyl proteinase, putative 0.0124 0.0352 0.0927
Schistosoma mansoni nuclear receptor 2DBD-gamma 0.0034 0.0004 0.0004
Onchocerca volvulus 0.0057 0.0093 0.2576
Echinococcus multilocularis Nuclear hormone receptor family member nhr 41 0.0034 0.0004 0.0011
Loa Loa (eye worm) hypothetical protein 0.0034 0.0004 0.0011
Schistosoma mansoni subfamily A1A unassigned peptidase (A01 family) 0.0124 0.0352 0.0352
Schistosoma mansoni tyrosine kinase 0.0158 0.0483 0.0483
Echinococcus granulosus tyrosine protein kinase Src64B 0.0043 0.0042 0.0128
Brugia malayi steroid hormone receptor 0.0034 0.0004 0.0011
Trypanosoma cruzi ribonucleoside-diphosphate reductase small chain, putative 0.0138 0.0407 0.1157
Schistosoma mansoni site-1 peptidase (S08 family) 0.0057 0.0093 0.0093
Schistosoma mansoni tyrosine kinase 0.0155 0.0473 0.0473
Loa Loa (eye worm) nuclear hormone receptor family member nhr-14 0.0034 0.0004 0.0011
Loa Loa (eye worm) metalloprotease 0.0037 0.0016 0.0049
Brugia malayi Nuclear hormone receptor family member nhr-19 0.0034 0.0004 0.0011
Trichomonas vaginalis Clan SB, family S8, subtilisin-like serine peptidase 0.0057 0.0093 0.0196
Echinococcus granulosus proto oncogene tyrosine protein kinase LCK 0.0043 0.0042 0.0128
Schistosoma mansoni tyrosine kinase 0.0094 0.0238 0.0238
Schistosoma mansoni tyrosine kinase 0.0043 0.0042 0.0042
Echinococcus multilocularis subfamily M12B unassigned peptidase 0.0133 0.0387 0.1187
Plasmodium vivax aspartyl protease, putative 0.0124 0.0352 0.0927
Loa Loa (eye worm) hypothetical protein 0.0133 0.0387 0.1187
Loa Loa (eye worm) hypothetical protein 0.0034 0.0004 0.0011
Schistosoma mansoni cell polarity protein 0.0048 0.006 0.006
Brugia malayi Nuclear hormone receptor family member nhr-31 0.0034 0.0004 0.0011
Trichomonas vaginalis Clan SB, family S8, subtilisin-like serine peptidase 0.0057 0.0093 0.0196
Mycobacterium ulcerans transcriptional regulator NrdR 0.0049 0.0064 0.0099
Echinococcus multilocularis tyrosine protein kinase Src64B 0.0043 0.0042 0.0128
Brugia malayi photoreceptor-specific nuclear receptor 0.0034 0.0004 0.0011
Loa Loa (eye worm) nuclear hormone receptor family member nhr-1 0.0034 0.0004 0.0011
Trichomonas vaginalis Clan SB, family S8, subtilisin-like serine peptidase 0.0085 0.0201 0.055
Plasmodium vivax plasmepsin IV, putative 0.0237 0.0788 0.2287
Leishmania major ribonucleoside-diphosphate reductase small chain, putative 0.0138 0.0407 0.0991
Loa Loa (eye worm) nuclear hormone receptor family member nhr-31 0.0034 0.0004 0.0011
Plasmodium vivax aspartyl proteinase, putative 0.0237 0.0788 0.2287
Schistosoma mansoni tyrosine kinase 0.0155 0.0473 0.0473
Echinococcus granulosus FTZ F1 nuclear receptor protein 0.0034 0.0004 0.0011
Echinococcus multilocularis insulin receptor 0.0094 0.0238 0.073
Brugia malayi neuroendocrine convertase 1 precursor 0.0141 0.0418 0.1283
Trichomonas vaginalis Clan SB, family S8, subtilisin-like serine peptidase 0.0057 0.0093 0.0196
Brugia malayi Nuclear hormone receptor family member nhr-25 0.0034 0.0004 0.0011
Toxoplasma gondii subtilisin SUB1 0.0732 0.2694 0.8208
Brugia malayi Disintegrin family protein 0.0055 0.0087 0.0266
Brugia malayi protein-tyrosine kinase 0.0035 0.0009 0.0027
Trypanosoma brucei DNA polymerase kappa, putative 0.0041 0.0034 0.0079
Schistosoma mansoni retinoid-x-receptor (RXR) 0.0034 0.0004 0.0004
Onchocerca volvulus 0.0124 0.0352 1
Echinococcus granulosus epidermal growth factor receptor 0.0293 0.1004 0.3078
Trichomonas vaginalis Clan SB, family S8, subtilisin-like serine peptidase 0.0057 0.0093 0.0196
Schistosoma mansoni subfamily A1A unassigned peptidase (A01 family) 0.0124 0.0352 0.0352
Mycobacterium ulcerans membrane-anchored serine protease (mycosin), MycP4 0.0057 0.0093 0.0196
Plasmodium falciparum ribonucleoside-diphosphate reductase large subunit, putative 0.088 0.3261 1
Trichomonas vaginalis ribonucleoside-diphosphate reductase alpha chain, putative 0.0831 0.3072 1
Echinococcus granulosus integrin alpha ps 0.0097 0.0247 0.0757
Echinococcus multilocularis integrin alpha ps 0.0097 0.0247 0.0757
Trichomonas vaginalis Clan SB, family S8, subtilisin-like serine peptidase 0.0057 0.0093 0.0196
Schistosoma mansoni nuclear hormone receptor 0.0034 0.0004 0.0004
Loa Loa (eye worm) hypothetical protein 0.0248 0.083 0.2547
Schistosoma mansoni subfamily S8B non-peptidase homologue (S08 family) 0.0085 0.0201 0.0201
Schistosoma mansoni cathepsin D (A01 family) 0.0527 0.1901 0.1901
Echinococcus granulosus tyrosine protein kinase Blk 0.0035 0.0009 0.0027
Mycobacterium leprae conserved hypothetical protein 0.0049 0.0064 0.003
Trichomonas vaginalis Clan SB, family S8, subtilisin-like serine peptidase 0.0138 0.0407 0.1229
Echinococcus granulosus nuclear receptor 2DBD gamma 0.0034 0.0004 0.0011
Trichomonas vaginalis Clan SB, family S8, subtilisin-like serine peptidase 0.0057 0.0093 0.0196
Schistosoma mansoni hypothetical protein 0.0068 0.0136 0.0136
Trichomonas vaginalis Clan SB, family S8, subtilisin-like serine peptidase 0.0085 0.0201 0.055
Loa Loa (eye worm) aspartic protease BmAsp-1 0.0124 0.0352 0.108
Schistosoma mansoni subfamily A1A unassigned peptidase (A01 family) 0.0124 0.0352 0.0352
Schistosoma mansoni retinoic acid receptor RXR 0.0034 0.0004 0.0004
Echinococcus multilocularis hepatocyte nuclear factor 4 alpha 0.0034 0.0004 0.0011
Plasmodium vivax plasmepsin V, putative 0.0124 0.0352 0.0927
Echinococcus granulosus kelch ECH associated protein 1 like 0.0092 0.023 0.0704
Echinococcus granulosus tumor necrosis factor receptor superfamily 0.0045 0.0048 0.0148
Echinococcus granulosus TNFR CD27 30 40 95 cysteine rich region 0.0045 0.0048 0.0148
Echinococcus multilocularis integrin alpha ps 0.0202 0.0651 0.1997
Trypanosoma brucei DNA polymerase kappa, putative 0.0041 0.0034 0.0079
Trichomonas vaginalis conserved hypothetical protein 0.0057 0.0093 0.0196
Trichomonas vaginalis Clan SB, family S8, subtilisin-like serine peptidase 0.0057 0.0093 0.0196
Trypanosoma brucei ribonucleoside-diphosphate reductase small chain 0.0047 0.0055 0.0144
Echinococcus multilocularis epidermal growth factor receptor 0.0293 0.1004 0.3078
Schistosoma mansoni integrin alpha-ps 0.0202 0.0651 0.0651
Echinococcus multilocularis nuclear receptor 2DBD gamma 0.0034 0.0004 0.0011
Loa Loa (eye worm) integrin alpha pat-2 0.0694 0.2546 0.7807
Echinococcus granulosus peptidase s8 s53 subtilisin kexin sedolisin 0.0057 0.0093 0.0286
Schistosoma mansoni memapsin-2 (A01 family) 0.2253 0.8546 0.8546
Schistosoma mansoni furin-1 (S08 family) 0.0113 0.0311 0.0311
Echinococcus granulosus adam 17 protease 0.0055 0.0087 0.0266
Trichomonas vaginalis conserved hypothetical protein 0.0057 0.0093 0.0196
Trypanosoma brucei DNA polymerase kappa, putative 0.0041 0.0034 0.0079
Plasmodium falciparum subtilisin-like protease 1 0.0732 0.2694 0.823
Schistosoma mansoni subfamily M12B unassigned peptidase (M12 family) 0.0133 0.0387 0.0387
Schistosoma mansoni photoreceptor-specific nuclear receptor related 0.0034 0.0004 0.0004
Trichomonas vaginalis Clan SB, family S8, subtilisin-like serine peptidase 0.0057 0.0093 0.0196
Toxoplasma gondii ribonucleoside-diphosphate reductase small subunit 0.0138 0.0407 0.0991
Echinococcus granulosus melanoma receptor tyrosine protein kinase 0.0158 0.0483 0.1481
Trypanosoma brucei DNA polymerase IV, putative 0.0041 0.0034 0.0079
Toxoplasma gondii aminopeptidase N, putative 0.0298 0.1022 0.293
Echinococcus multilocularis tyrosine protein kinase lyn tyrosine protein kinase blk 0.0043 0.0042 0.0128
Echinococcus granulosus ecdysone induced protein 78C 0.0034 0.0004 0.0011
Brugia malayi Reprolysin 0.0078 0.0175 0.0535
Echinococcus multilocularis tyrosine protein kinase lyn lyn a protein tyrosine kinase lymphocyte specific protein tyrosine kinase 0.0043 0.0042 0.0128
Echinococcus granulosus adam 0.0174 0.0545 0.1672
Loa Loa (eye worm) subtilase 0.0057 0.0093 0.0286
Echinococcus multilocularis integrin alpha ps 0.0202 0.0651 0.1997
Trichomonas vaginalis Clan SB, family S8, subtilisin-like serine peptidase 0.0057 0.0093 0.0196
Schistosoma mansoni adam (A disintegrin and metalloprotease 0.0174 0.0545 0.0545
Loa Loa (eye worm) hypothetical protein 0.0105 0.0279 0.0855
Plasmodium falciparum plasmepsin III 0.0124 0.0352 0.0927
Schistosoma mansoni thyroid hormone receptor 0.0034 0.0004 0.0004
Echinococcus granulosus FTZ F1 alpha 0.0034 0.0004 0.0011
Schistosoma mansoni subfamily A1A unassigned peptidase (A01 family) 0.0124 0.0352 0.0352
Mycobacterium tuberculosis Probable proline rich membrane-anchored mycosin MycP5 (serine protease) (subtilisin-like protease) (subtilase-like) (mycosin-5) 0.0057 0.0093 0.0098
Mycobacterium tuberculosis Probable membrane-anchored mycosin MycP3 (serine protease) (subtilisin-like protease) (subtilase-like) (mycosin-3) 0.0057 0.0093 0.0098
Loa Loa (eye worm) lethal(1)discs large-1 tumor suppressor 0.0045 0.0049 0.0151
Echinococcus granulosus subfamily M12B unassigned peptidase 0.0133 0.0387 0.1187
Echinococcus multilocularis cathepsin d (lysosomal aspartyl protease) 0.0237 0.0788 0.2417
Loa Loa (eye worm) hypothetical protein 0.0057 0.0092 0.0282
Schistosoma mansoni hypothetical protein 0.0093 0.0231 0.0231
Echinococcus granulosus furin 0.0195 0.0625 0.1916
Echinococcus multilocularis tyrosine protein kinase Srms 0.0035 0.0009 0.0027
Brugia malayi ribonucleotide reductase 2 0.0138 0.0407 0.1249
Trypanosoma cruzi ribonucleoside-diphosphate reductase large chain, putative 0.0255 0.0855 0.2545
Chlamydia trachomatis ribonucleoside-diphosphate reductase subunit beta 0.0138 0.0407 0.1074
Brugia malayi Protein kinase domain containing protein 0.0094 0.0238 0.073
Schistosoma mansoni steroid hormone receptor ad4bp 0.0034 0.0004 0.0004
Schistosoma mansoni nuclear hormone receptor superfamily protein-related 0.0432 0.1539 0.1539
Echinococcus granulosus tyrosine protein kinase Lyn 0.0043 0.0042 0.0128
Trypanosoma brucei serine peptidase, clan SB, family S8-like protein 0.0057 0.0093 0.0262
Echinococcus multilocularis Kelch repeat type 1 0.0093 0.0231 0.0707
Echinococcus multilocularis Blood coagulation inhibitor, Disintegrin 0.0055 0.0087 0.0266
Loa Loa (eye worm) pigment dispersing factor receptor c 0.01 0.0257 0.0789
Brugia malayi metalloprotease 0.0037 0.0016 0.0049
Schistosoma mansoni ADAMTS14 peptidase (M12 family) 0.0037 0.0016 0.0016
Loa Loa (eye worm) hypothetical protein 0.0124 0.0352 0.108
Trichomonas vaginalis Clan SB, family S8, subtilisin-like serine peptidase 0.0057 0.0093 0.0196
Trypanosoma brucei ribonucleoside-diphosphate reductase small chain, putative 0.0138 0.0407 0.1227
Brugia malayi hypothetical protein 0.0174 0.0545 0.1672
Echinococcus multilocularis Peptidase S8 S53, subtilisin kexin sedolisin 0.0057 0.0093 0.0286
Brugia malayi Nuclear hormone receptor family member nhr-1 0.0034 0.0004 0.0011
Brugia malayi angiogenesis inhibito 0.0078 0.0174 0.0534
Schistosoma mansoni Tr4/Tr2 (homologue) 0.0034 0.0004 0.0004
Brugia malayi endoprotease bli-4 precursor 0.0195 0.0625 0.1916
Toxoplasma gondii aspartyl protease 0.0124 0.0352 0.0817
Brugia malayi ecdysteroid receptor 0.0034 0.0004 0.0011
Loa Loa (eye worm) hypothetical protein 0.0097 0.0247 0.0757
Trichomonas vaginalis Clan SB, family S8, subtilisin-like serine peptidase 0.0057 0.0093 0.0196
Leishmania major ribonucleoside-diphosphate reductase small chain, putative 0.0138 0.0407 0.0991
Schistosoma mansoni dihydroceramide desaturase 0.0055 0.0087 0.0087
Brugia malayi Nuclear hormone receptor family member nhr-14 0.0034 0.0004 0.0011
Mycobacterium tuberculosis Ribonucleoside-diphosphate reductase (beta chain) NrdF1 (ribonucleotide reductase small subunit) (R2F protein) 0.0138 0.0407 0.1142
Brugia malayi Eukaryotic aspartyl protease family protein 0.0124 0.0352 0.108
Echinococcus granulosus tyrosine kinase 0.0035 0.0009 0.0027
Schistosoma mansoni tyrosine kinase 0.0158 0.0483 0.0483
Plasmodium falciparum subtilisin-like protease 2 0.0057 0.0093 0.012
Trichomonas vaginalis Clan SB, family S8, subtilisin-like serine peptidase 0.0057 0.0093 0.0196
Onchocerca volvulus 0.0124 0.0352 1
Loa Loa (eye worm) hypothetical protein 0.0068 0.0136 0.0418
Schistosoma mansoni tyrosine kinase 0.0293 0.1004 0.1004
Trypanosoma cruzi subtilisin peptidase 0.0057 0.0093 0.0185
Plasmodium falciparum ribonucleoside-diphosphate reductase small chain, putative 0.0138 0.0407 0.1099
Echinococcus granulosus tyrosine kinase|tyrosine protein kinase Fyn 0.0035 0.0009 0.0027
Echinococcus multilocularis disks large 3 0.0048 0.006 0.0183
Loa Loa (eye worm) nuclear hormone receptor family member nhr-41 0.0034 0.0004 0.0011
Echinococcus multilocularis thyroid hormone receptor alpha 0.0034 0.0004 0.0011
Echinococcus multilocularis Furin 1 0.0085 0.0201 0.0615
Echinococcus multilocularis kelch ECH associated protein 1 0.0092 0.023 0.0704
Echinococcus granulosus tyrosine protein kinase Fyn 0.0043 0.0042 0.0128
Brugia malayi ribonucleoside-diphosphate reductase large chain, putative 0.088 0.3261 1
Plasmodium falciparum plasmepsin VII 0.0124 0.0352 0.0927
Loa Loa (eye worm) hypothetical protein 0.0034 0.0004 0.0011
Loa Loa (eye worm) TK/INSR protein kinase 0.0094 0.0238 0.073
Plasmodium falciparum M1-family alanyl aminopeptidase 0.0298 0.1022 0.3015
Echinococcus granulosus proprotein convertase subtilisin:kexin type 5 0.0138 0.0407 0.1248
Echinococcus granulosus Furin 1 0.0085 0.0201 0.0615
Brugia malayi Hypothetical subtilase-type proteinase F21H12.6 in chromosome II 0.0057 0.0093 0.0286
Schistosoma mansoni subfamily A1A unassigned peptidase (A01 family) 0.0124 0.0352 0.0352
Leishmania major ribonucleoside-diphosphate reductase large chain, putative 0.088 0.3261 1
Schistosoma mansoni subfamily A1A unassigned peptidase (A01 family) 0.0124 0.0352 0.0352
Loa Loa (eye worm) hypothetical protein 0.0057 0.0093 0.0286
Echinococcus multilocularis diuretic hormone 44 receptor GPRdih2 0.0338 0.1174 0.36
Loa Loa (eye worm) ribonucleotide reductase M2 B 0.0138 0.0407 0.1249
Plasmodium falciparum plasmepsin X 0.0124 0.0352 0.0927
Schistosoma mansoni hypothetical protein 0.0097 0.0247 0.0247
Echinococcus multilocularis proto oncogene tyrosine protein kinase LCK 0.0043 0.0042 0.0128
Brugia malayi hypothetical protein 0.0124 0.0352 0.108
Echinococcus granulosus hepatocyte nuclear factor 4 alpha 0.0034 0.0004 0.0011
Echinococcus granulosus ribonucleoside diphosphate reductase subunit 0.0138 0.0407 0.1249
Loa Loa (eye worm) proprotein convertase 2 0.0085 0.0201 0.0615
Loa Loa (eye worm) hypothetical protein 0.0034 0.0004 0.0011
Brugia malayi Nuclear hormone receptor family member nhr-25 0.0034 0.0004 0.0011
Echinococcus multilocularis tyrosine protein kinase Fyn 0.0043 0.0042 0.0128
Schistosoma mansoni tripeptidyl-peptidase II (S08 family) 0.0057 0.0093 0.0093
Trichomonas vaginalis Clan SB, family S8, subtilisin-like serine peptidase 0.0057 0.0093 0.0196
Echinococcus granulosus kelch ECH associated protein 1 like 0.0092 0.023 0.0704
Trichomonas vaginalis Clan SB, family S8, subtilisin-like serine peptidase 0.0085 0.0201 0.055
Echinococcus multilocularis tyrosine protein kinase Fyn 0.0043 0.0042 0.0128
Echinococcus multilocularis tyrosine protein kinase Fgr 0.0043 0.0042 0.0128
Plasmodium falciparum plasmepsin VI 0.0237 0.0788 0.2287
Echinococcus multilocularis proprotein convertase subtilisin:kexin type 5 0.0138 0.0407 0.1248
Loa Loa (eye worm) hypothetical protein 0.0353 0.1235 0.3787
Schistosoma mansoni family A2 unassigned peptidase (A02 family) 0.0478 0.1715 0.1715
Brugia malayi Nuclear hormone receptor family member nhr-40 0.0034 0.0004 0.0011
Trichomonas vaginalis Clan SB, family S8, subtilisin-like serine peptidase 0.0138 0.0407 0.1229
Schistosoma mansoni ribonucleoside-diphosphate reductase alpha subunit 0.088 0.3261 0.3261
Loa Loa (eye worm) guanylate kinase 0.0043 0.0042 0.0128
Trypanosoma brucei DNA polymerase kappa, putative 0.0041 0.0034 0.0079
Trypanosoma cruzi ribonucleoside-diphosphate reductase small chain, putative 0.0138 0.0407 0.1157
Loa Loa (eye worm) hypothetical protein 0.0078 0.0174 0.0534
Echinococcus multilocularis kelch ECH associated protein 1 0.0092 0.023 0.0704
Echinococcus multilocularis ribonucleoside diphosphate reductase large 0.088 0.3261 1
Loa Loa (eye worm) aspartic protease BmAsp-2 0.0237 0.0788 0.2417
Trypanosoma brucei DNA polymerase kappa, putative 0.0041 0.0034 0.0079
Loa Loa (eye worm) angiogenesis inhibito 0.0037 0.0016 0.0049
Brugia malayi Guanylate kinase family protein 0.0057 0.0092 0.0283

Activities

Activity type Activity value Assay description Source Reference
Activity (functional) = 38 % Agonist activity at PPARalpha expressed in HEK293 cells by measuring Gal4 luciferase reporter activity relative to (S)-2- {2-[1-Ethyl-3-(4-trifluoromethoxyphenyl)ureido] indan-5-ylsulfanyl}-2- methylpropionic acid ChEMBL. 17608467
Activity (functional) = 38 % Agonist activity at PPARalpha expressed in HEK293 cells by measuring Gal4 luciferase reporter activity relative to (S)-2- {2-[1-Ethyl-3-(4-trifluoromethoxyphenyl)ureido] indan-5-ylsulfanyl}-2- methylpropionic acid ChEMBL. 17608467
Activity (functional) = 72 % Agonist activity at PPARdelta expressed in HEK293 cells by measuring Gal4 luciferase reporter activity relative to standard agonist ChEMBL. 17608467
Activity (functional) = 72 % Agonist activity at PPARdelta expressed in HEK293 cells by measuring Gal4 luciferase reporter activity relative to standard agonist ChEMBL. 17608467
EC50 (functional) = 18 nM Agonist activity at PPARdelta expressed in HEK293 cells by measuring Gal4 luciferase reporter activity ChEMBL. 17608467
EC50 (functional) = 18 nM Agonist activity at human PPARdelta-Gal4 in HEK293 cells by luciferase reporter assay ChEMBL. 18155554
EC50 (functional) = 18 nM Agonist activity at PPARdelta expressed in HEK293 cells by measuring Gal4 luciferase reporter activity ChEMBL. 17608467
EC50 (functional) = 18 nM Agonist activity at human PPARdelta-Gal4 in HEK293 cells by luciferase reporter assay ChEMBL. 18155554
EC50 (functional) = 186 nM Agonist activity at PPARalpha expressed in HEK293 cells by measuring Gal4 luciferase reporter activity ChEMBL. 17608467
EC50 (functional) = 186 nM Agonist activity at human PPARalpha-Gal4 in HEK293 cells by luciferase reporter assay ChEMBL. 18155554
EC50 (functional) = 186 nM Agonist activity at PPARalpha expressed in HEK293 cells by measuring Gal4 luciferase reporter activity ChEMBL. 17608467
EC50 (functional) = 186 nM Agonist activity at human PPARalpha-Gal4 in HEK293 cells by luciferase reporter assay ChEMBL. 18155554
EC50 (functional) > 3000 nM Agonist activity at PPARgamma expressed in HEK293 cells by measuring Gal4 luciferase reporter activity ChEMBL. 17608467
EC50 (functional) > 3000 nM Agonist activity at human PPARgamma-Gal4 in HEK293 cells by luciferase reporter assay ChEMBL. 18155554
EC50 (functional) > 3000 nM Agonist activity at PPARgamma expressed in HEK293 cells by measuring Gal4 luciferase reporter activity ChEMBL. 17608467
EC50 (functional) > 3000 nM Agonist activity at human PPARgamma-Gal4 in HEK293 cells by luciferase reporter assay ChEMBL. 18155554
Inhibition (functional) = 72 % Agonist activity at human PPARdelta-Gal4 in HEK293 cells by luciferase reporter assay relative to {4-[2-methoxy-3-(4-trifluoromethyl-phenoxy)-propylsulfanyl]-2-methyl-phenoxy}-acetic acid ChEMBL. 18155554
Inhibition (functional) = 72 % Agonist activity at human PPARdelta-Gal4 in HEK293 cells by luciferase reporter assay relative to {4-[2-methoxy-3-(4-trifluoromethyl-phenoxy)-propylsulfanyl]-2-methyl-phenoxy}-acetic acid ChEMBL. 18155554
Inhibition (functional) = 138 % Agonist activity at human PPARalpha-Gal4 in HEK293 cells by luciferase reporter assay relative to (S)-2-{2-[1-ethyl-3-(4-trifluoro-methoxyphenyl)ureido]indan-5-ylsulfanyl}-2-methylpropionic acid ChEMBL. 18155554
Inhibition (functional) = 138 % Agonist activity at human PPARalpha-Gal4 in HEK293 cells by luciferase reporter assay relative to (S)-2-{2-[1-ethyl-3-(4-trifluoro-methoxyphenyl)ureido]indan-5-ylsulfanyl}-2-methylpropionic acid ChEMBL. 18155554

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.
 
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External resources for this compound

Bibliographic References

2 literature references were collected for this gene.

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