Detailed information for compound 32714

Basic information

Technical information
  • TDR Targets ID: 32714
  • Name: 5-[(2,4-dioxo-1,3-thiazolidin-5-yl)methyl]-2- methoxy-N-[[4-(trifluoromethyl)phenyl]methyl] benzamide
  • MW: 438.42 | Formula: C20H17F3N2O4S
  • H donors: 2 H acceptors: 3 LogP: 3.69 Rotable bonds: 8
    Rule of 5 violations (Lipinski): 1
  • SMILES: COc1ccc(cc1C(=O)NCc1ccc(cc1)C(F)(F)F)CC1SC(=O)NC1=O
  • InChi: 1S/C20H17F3N2O4S/c1-29-15-7-4-12(9-16-18(27)25-19(28)30-16)8-14(15)17(26)24-10-11-2-5-13(6-3-11)20(21,22)23/h2-8,16H,9-10H2,1H3,(H,24,26)(H,25,27,28)
  • InChiKey: NFFXEUUOMTXWCX-UHFFFAOYSA-N  


Substructure search Similarity search

Network

Hover on a compound node to display the structore

Synonyms

  • 5-[(2,4-dioxothiazolidin-5-yl)methyl]-2-methoxy-N-[[4-(trifluoromethyl)phenyl]methyl]benzamide
  • 5-[(2,4-dioxo-5-thiazolidinyl)methyl]-2-methoxy-N-[[4-(trifluoromethyl)phenyl]methyl]benzamide
  • 5-[(2,4-diketothiazolidin-5-yl)methyl]-2-methoxy-N-[4-(trifluoromethyl)benzyl]benzamide
  • 5-((2,4-dioxo-5-thiazolidinyl)methyl)-2-methoxy-N-((4-(trifluoromethyl)phenyl)methyl)benzamide
  • MK0767
  • 213252-19-8
  • L 410198
  • L410198
  • MK 767
  • MK-767
  • MK-0767
  • Benzamide, 5-((2,4-dioxo-5-thiazolidinyl)methyl)-2-methoxy-N-((4-(trifluoromethyl)phenyl)methyl)-
  • KRP 297
  • KRP-297

Targets

Known targets for this compound

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

Predicted pathogen targets for this compound

By orthology
Species Potential target Known druggable target/s Ortholog Group
Schistosoma japonicum IPR008946,Nuclear receptor, ligand-binding,domain-containing 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 mansoni nuclear hormone receptor superfamily protein-related 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 375 aa 25.1 %
Brugia malayi ecdysteroid receptor peroxisome proliferator-activated receptor alpha 468 aa 397 aa 25.4 %
Brugia malayi ecdysteroid receptor peroxisome proliferator activator receptor delta 440 aa 364 aa 26.1 %
Echinococcus granulosus ecdysone induced protein 78C peroxisome proliferator-activated receptor gamma 477 aa 447 aa 28.2 %
Brugia malayi photoreceptor-specific nuclear receptor peroxisome proliferator activated receptor gamma 475 aa 395 aa 26.3 %
Obtained from network model

Ranking Plot

Putative Targets List

Species Potential target Raw Global Species
Trichomonas vaginalis fructose-bisphosphate aldolase, putative 0.0308 0.3236 1
Loa Loa (eye worm) dihydrofolate reductase 0.0376 0.4055 1
Trypanosoma brucei mitochondrial DNA polymerase beta-PAK 0.0151 0.135 0.3978
Loa Loa (eye worm) hypothetical protein 0.0082 0.0524 0.1277
Loa Loa (eye worm) hypothetical protein 0.0172 0.1606 0.3951
Brugia malayi steroid hormone receptor 0.0082 0.0524 0.1292
Mycobacterium ulcerans DNA polymerase IV 0.0044 0.0068 0.0168
Brugia malayi Ligand-binding domain of nuclear hormone receptor family protein 0.0082 0.0524 0.1292
Loa Loa (eye worm) hypothetical protein 0.0082 0.0524 0.1277
Trypanosoma cruzi mitochondrial DNA polymerase beta, putative 0.0318 0.3359 1
Schistosoma mansoni aryl hydrocarbon receptor 0.0051 0.016 0.0153
Brugia malayi hypothetical protein 0.0038 0.0007 0.0017
Brugia malayi Nuclear hormone receptor-like 1 0.0082 0.0524 0.1292
Mycobacterium tuberculosis Probable nitrite reductase [NAD(P)H] large subunit [FAD flavoprotein] NirB 0.0091 0.0635 0.1518
Echinococcus multilocularis dna polymerase kappa 0.0044 0.0068 0.0082
Brugia malayi Nuclear hormone receptor family member nhr-25 0.0082 0.0524 0.1292
Entamoeba histolytica fructose-1,6-bisphosphate aldolase, putative 0.0308 0.3236 1
Echinococcus multilocularis thyroid hormone receptor alpha 0.0082 0.0524 0.0634
Trypanosoma brucei DNA polymerase kappa, putative 0.0044 0.0068 0.0135
Brugia malayi nuclear receptor subfamily 1, group D, member 1, putative 0.0038 0.0007 0.0017
Loa Loa (eye worm) DNA topoisomerase I 0.0199 0.1929 0.4748
Loa Loa (eye worm) nuclear hormone receptor family member nhr-41 0.0082 0.0524 0.1277
Brugia malayi hypoxia-induced factor 1 0.0159 0.1447 0.3568
Schistosoma mansoni retinoid-x-receptor (RXR) 0.0043 0.0062 0.0055
Echinococcus multilocularis hepatocyte nuclear factor 4 alpha 0.0082 0.0524 0.0634
Brugia malayi nuclear receptor NHR-88 0.0038 0.0007 0.0017
Onchocerca volvulus 0.0097 0.0709 0.2794
Mycobacterium tuberculosis Probable oxidoreductase 0.0101 0.0757 0.1819
Chlamydia trachomatis dihydrofolate reductase 0.0376 0.4055 0.5
Brugia malayi PAS domain containing protein 0.0051 0.016 0.0394
Trypanosoma cruzi DNA polymerase kappa, putative 0.0044 0.0068 0.0135
Schistosoma mansoni DNA topoisomerase type I 0.0149 0.133 0.1324
Brugia malayi DNA topoisomerase I 0.0199 0.1929 0.4757
Mycobacterium leprae PROBABLE THYMIDYLATE SYNTHASE THYA (TS) (TSASE) 0.0104 0.0795 0.0469
Mycobacterium tuberculosis Probable NADH dehydrogenase Ndh 0.0091 0.0635 0.1518
Brugia malayi nuclear hormone receptor family member odr-7 0.0038 0.0007 0.0017
Echinococcus multilocularis Nuclear hormone receptor HR96 0.0038 0.0007 0.0008
Echinococcus multilocularis tissue type plasminogen activator 0.0097 0.0709 0.0858
Loa Loa (eye worm) glutathione reductase 0.004 0.0023 0.004
Brugia malayi Protein kinase domain containing protein 0.0097 0.0709 0.1748
Trypanosoma cruzi DNA polymerase kappa, putative 0.0044 0.0068 0.0135
Mycobacterium ulcerans dihydrofolate reductase DfrA 0.0376 0.4055 1
Mycobacterium tuberculosis Conserved hypothetical protein 0.0168 0.1554 0.3798
Brugia malayi Ligand-binding domain of nuclear hormone receptor family protein 0.0082 0.0524 0.1292
Trypanosoma cruzi dihydrofolate reductase-thymidylate synthase 0.0274 0.2834 0.8427
Echinococcus granulosus Nuclear hormone receptor HR96 0.0038 0.0007 0.0008
Mycobacterium leprae DIHYDROLIPOAMIDE DEHYDROGENASE LPD (LIPOAMIDE REDUCTASE (NADH)) (LIPOYL DEHYDROGENASE) (DIHYDROLIPOYL DEHYDROGENASE) (DIAPHORASE 0.0101 0.0757 0.0356
Brugia malayi Nuclear hormone receptor family member nhr-40 0.0082 0.0524 0.1292
Brugia malayi Ras protein let-60 0.006 0.027 0.0667
Trichomonas vaginalis rap1 and, putative 0.006 0.027 0.0639
Leishmania major DNA topoisomerase IB, large subunit 0.0149 0.133 0.3918
Echinococcus granulosus thyroid hormone receptor alpha 0.0038 0.0007 0.0008
Echinococcus multilocularis FTZ F1 nuclear receptor protein 0.0082 0.0524 0.0634
Leishmania major dihydrofolate reductase-thymidylate synthase 0.0274 0.2834 0.8427
Brugia malayi nuclear receptor RXR 0.0043 0.0062 0.0154
Mycobacterium tuberculosis Putative ferredoxin reductase 0.0091 0.0635 0.1518
Onchocerca volvulus Steroid hormone receptor family member cnr14 homolog 0.0082 0.0524 0.2066
Plasmodium vivax topoisomerase I, putative 0.0199 0.1929 0.6779
Onchocerca volvulus Nuclear receptor subfamily 6 group A member 1 homolog 0.0038 0.0007 0.0028
Echinococcus granulosus dna polymerase kappa 0.0044 0.0068 0.0082
Brugia malayi nuclear receptor NHR-67 0.0038 0.0007 0.0017
Echinococcus granulosus FTZ F1 alpha 0.0082 0.0524 0.0634
Plasmodium vivax cysteine repeat modular protein 1, putative 0.0097 0.0709 0.2439
Echinococcus multilocularis nuclear receptor 2DBD gamma 0.0082 0.0524 0.0634
Trichomonas vaginalis fructose-bisphosphate aldolase, putative 0.0308 0.3236 1
Mycobacterium tuberculosis Dihydrofolate reductase DfrA (DHFR) (tetrahydrofolate dehydrogenase) 0.0376 0.4055 1
Echinococcus multilocularis nuclear receptor 2DBD gamma 0.0082 0.0524 0.0634
Mycobacterium tuberculosis Dihydrolipoamide dehydrogenase LpdC (lipoamide reductase (NADH)) (lipoyl dehydrogenase) (dihydrolipoyl dehydrogenase) (diaphoras 0.0101 0.0757 0.1819
Trypanosoma brucei DNA polymerase beta thumb, putative 0.0045 0.0082 0.0176
Loa Loa (eye worm) hypothetical protein 0.0043 0.0062 0.0137
Brugia malayi Nuclear hormone receptor family member nhr-31 0.0082 0.0524 0.1292
Trichomonas vaginalis fructose-bisphosphate aldolase, putative 0.0308 0.3236 1
Mycobacterium ulcerans hypothetical protein 0.0168 0.1554 0.3833
Trypanosoma brucei DNA polymerase kappa, putative 0.0044 0.0068 0.0135
Echinococcus multilocularis dihydrofolate reductase 0.0376 0.4055 0.4909
Loa Loa (eye worm) thymidylate synthase 0.0104 0.0795 0.1948
Brugia malayi hypothetical protein 0.0043 0.0062 0.0154
Onchocerca volvulus 0.0082 0.0524 0.2066
Trypanosoma cruzi DNA polymerase beta thumb, putative 0.0045 0.0082 0.0176
Brugia malayi hypothetical protein 0.005 0.014 0.0345
Leishmania major mitochondrial DNA polymerase beta 0.0318 0.3359 1
Brugia malayi photoreceptor-specific nuclear receptor 0.0082 0.0524 0.1292
Echinococcus granulosus hepatocyte nuclear factor 4 alpha 0.0082 0.0524 0.0634
Mycobacterium tuberculosis Probable dehydrogenase 0.0091 0.0635 0.1518
Brugia malayi Nuclear hormone receptor family member nhr-1 0.0082 0.0524 0.1292
Schistosoma mansoni steroid hormone receptor ad4bp 0.0082 0.0524 0.0517
Echinococcus granulosus nuclear receptor 2DBD gamma 0.0038 0.0007 0.0008
Schistosoma mansoni hypothetical protein 0.0097 0.0709 0.0702
Schistosoma mansoni coup transcription factor 0.0082 0.0524 0.0517
Echinococcus multilocularis nuclear receptor subfamily 1 group D 0.0043 0.0062 0.0075
Brugia malayi nuclear hormone receptor family member nhr-6 0.0038 0.0007 0.0017
Onchocerca volvulus 0.0249 0.2536 1
Loa Loa (eye worm) steroid hormone receptor 0.0082 0.0524 0.1277
Trypanosoma brucei dihydrofolate reductase-thymidylate synthase 0.0274 0.2834 0.8427
Echinococcus granulosus retinoic acid receptor rxr beta a 0.0082 0.0524 0.0634
Loa Loa (eye worm) hypothetical protein 0.0082 0.0524 0.1277
Giardia lamblia Fructose-bisphosphate aldolase 0.0308 0.3236 0.5
Toxoplasma gondii kringle domain-containing protein 0.0097 0.0709 0.2439
Trypanosoma cruzi DNA topoisomerase IB, large subunit, putative 0.0149 0.133 0.3918
Echinococcus granulosus tissue type plasminogen activator 0.0097 0.0709 0.0858
Brugia malayi Nuclear hormone receptor family member nhr-41 0.0082 0.0524 0.1292
Echinococcus granulosus ras gtpase 0.006 0.027 0.0327
Brugia malayi Nuclear hormone receptor family member nhr-19 0.0082 0.0524 0.1292
Echinococcus multilocularis ras gtpase 0.006 0.027 0.0327
Leishmania major DNA topoisomerase type IB small subunit 0.005 0.0144 0.0363
Trichomonas vaginalis rheb, putative 0.006 0.027 0.0639
Brugia malayi Nuclear hormone receptor family member nhr-3 0.0082 0.0524 0.1292
Echinococcus granulosus microtubule associated protein 2 0.0727 0.8259 1
Onchocerca volvulus 0.0104 0.0795 0.3136
Loa Loa (eye worm) hypothetical protein 0.006 0.027 0.0651
Trichomonas vaginalis dexras1, putative 0.006 0.027 0.0639
Mycobacterium tuberculosis Probable membrane NADH dehydrogenase NdhA 0.0091 0.0635 0.1518
Treponema pallidum fructose-bisphosphate aldolase 0.0308 0.3236 0.5
Toxoplasma gondii hypothetical protein 0.0051 0.016 0.0489
Echinococcus granulosus Nuclear hormone receptor HR96 0.0038 0.0007 0.0008
Trichomonas vaginalis ras-dva small GTPase, putative 0.006 0.027 0.0639
Loa Loa (eye worm) hypothetical protein 0.0043 0.0062 0.0137
Echinococcus multilocularis Nuclear hormone receptor HR96 0.0038 0.0007 0.0008
Plasmodium vivax bifunctional dihydrofolate reductase-thymidylate synthase, putative 0.0274 0.2834 1
Loa Loa (eye worm) Ras protein let-60 0.006 0.027 0.0651
Loa Loa (eye worm) hypothetical protein 0.0082 0.0524 0.1277
Trichomonas vaginalis ral, putative 0.006 0.027 0.0639
Echinococcus multilocularis nuclear receptor subfamily 4 group A 0.0038 0.0007 0.0008
Echinococcus granulosus COUP TF:Svp nuclear hormone receptor 0.0082 0.0524 0.0634
Echinococcus granulosus thymidylate synthase 0.0104 0.0795 0.0963
Schistosoma mansoni DNA topoisomerase type I 0.0149 0.133 0.1324
Echinococcus multilocularis COUP TF:Svp nuclear hormone receptor 0.0082 0.0524 0.0634
Trypanosoma cruzi DNA polymerase beta thumb, putative 0.0045 0.0082 0.0176
Trichomonas vaginalis fructose-bisphosphate aldolase, putative 0.0308 0.3236 1
Loa Loa (eye worm) nuclear Hormone Receptor family member 0.0082 0.0524 0.1277
Plasmodium falciparum bifunctional dihydrofolate reductase-thymidylate synthase 0.0274 0.2834 1
Brugia malayi Nuclear hormone receptor family member nhr-25 0.0082 0.0524 0.1292
Schistosoma mansoni photoreceptor-specific nuclear receptor related 0.0082 0.0524 0.0517
Onchocerca volvulus Nuclear receptor subfamily 6 group A member 1 homolog 0.0038 0.0007 0.0028
Trypanosoma cruzi DNA polymerase kappa, putative 0.0044 0.0068 0.0135
Brugia malayi tailless protein 0.0038 0.0007 0.0017
Brugia malayi Steroid receptor seven-up type 2 0.0082 0.0524 0.1292
Schistosoma mansoni retinoic acid receptor RXR 0.0082 0.0524 0.0517
Brugia malayi nuclear hormone receptor 0.0082 0.0524 0.1292
Trypanosoma cruzi dihydrofolate reductase-thymidylate synthase, putative 0.005 0.014 0.0351
Brugia malayi Nuclear hormone receptor E75 0.0038 0.0007 0.0017
Trichomonas vaginalis fructose-bisphosphate aldolase, putative 0.0308 0.3236 1
Onchocerca volvulus 0.0038 0.0007 0.0028
Trypanosoma brucei DNA polymerase IV, putative 0.0044 0.0068 0.0135
Loa Loa (eye worm) hypothetical protein 0.0082 0.0524 0.1277
Schistosoma mansoni microtubule-associated protein tau 0.0727 0.8259 0.8258
Brugia malayi nuclear receptor RXR 0.0038 0.0007 0.0017
Trypanosoma brucei DNA polymerase kappa, putative 0.0044 0.0068 0.0135
Leishmania major hypothetical protein, conserved 0.0097 0.0709 0.2056
Brugia malayi hypothetical protein 0.0043 0.0062 0.0154
Echinococcus multilocularis microtubule associated protein 2 0.0727 0.8259 1
Mycobacterium tuberculosis Probable fructose-bisphosphate aldolase Fba 0.015 0.1348 0.3287
Trypanosoma brucei DNA topoisomerase type IB small subunit 0.005 0.0144 0.0363
Onchocerca volvulus Protein ultraspiracle homolog 0.0082 0.0524 0.2066
Trypanosoma brucei DNA polymerase kappa, putative 0.0044 0.0068 0.0135
Plasmodium falciparum topoisomerase I 0.0199 0.1929 0.6779
Brugia malayi thymidylate synthase 0.0104 0.0795 0.1962
Loa Loa (eye worm) TK/ROR protein kinase 0.0097 0.0709 0.1734
Trypanosoma brucei mitochondrial DNA polymerase beta 0.0318 0.3359 1
Brugia malayi nuclear hormone receptor 0.0038 0.0007 0.0017
Trichomonas vaginalis fructose-bisphosphate aldolase, putative 0.0308 0.3236 1
Echinococcus multilocularis thioredoxin glutathione reductase 0.004 0.0029 0.0036
Trypanosoma cruzi DNA polymerase kappa, putative 0.0044 0.0068 0.0135
Schistosoma mansoni thyroid hormone receptor 0.0082 0.0524 0.0517
Echinococcus multilocularis nuclear receptor 2DBD gamma 0.0038 0.0007 0.0008
Brugia malayi Nuclear hormone receptor-like 1 0.0043 0.0062 0.0154
Brugia malayi dihydrofolate reductase family protein 0.0376 0.4055 1
Trypanosoma brucei DNA polymerase kappa, putative 0.0044 0.0068 0.0135
Echinococcus multilocularis FTZ F1 alpha 0.0082 0.0524 0.0634
Schistosoma mansoni thyroid hormone receptor 0.0082 0.0524 0.0517
Trichomonas vaginalis fructose-bisphosphate aldolase, putative 0.0308 0.3236 1
Loa Loa (eye worm) hypothetical protein 0.0082 0.0524 0.1277
Echinococcus multilocularis thymidylate synthase 0.0104 0.0795 0.0963
Brugia malayi Pre-SET motif family protein 0.0219 0.2173 0.536
Loa Loa (eye worm) hypothetical protein 0.0043 0.0062 0.0137
Onchocerca volvulus 0.0038 0.0007 0.0028
Mycobacterium tuberculosis Probable thymidylate synthase ThyA (ts) (TSASE) 0.0104 0.0795 0.1916
Echinococcus granulosus DNA topoisomerase 1 0.0199 0.1929 0.2335
Loa Loa (eye worm) hypothetical protein 0.0043 0.0062 0.0137
Echinococcus granulosus FTZ F1 nuclear receptor protein 0.0082 0.0524 0.0634
Mycobacterium tuberculosis NAD(P)H quinone reductase LpdA 0.0101 0.0757 0.1819
Mycobacterium leprae DIHYDROFOLATE REDUCTASE DFRA (DHFR) (TETRAHYDROFOLATE DEHYDROGENASE) 0.0376 0.4055 1
Echinococcus multilocularis DNA topoisomerase 1 0.0199 0.1929 0.2335
Echinococcus granulosus nuclear receptor subfamily 4 group A 0.0038 0.0007 0.0008
Mycobacterium ulcerans DNA polymerase IV 0.0044 0.0068 0.0168
Schistosoma mansoni RAR-like nuclear receptor 0.0082 0.0524 0.0517
Schistosoma mansoni nuclear hormone receptor nor-1/nor-2 0.0082 0.0524 0.0517
Mycobacterium tuberculosis Probable reductase 0.0091 0.0635 0.1518
Echinococcus granulosus dihydrofolate reductase 0.0376 0.4055 0.4909
Brugia malayi Nuclear hormone receptor family member nhr-49 0.0082 0.0524 0.1292
Trichomonas vaginalis conserved hypothetical protein 0.005 0.014 0.0227
Schistosoma mansoni single-minded 0.0051 0.016 0.0153
Brugia malayi Nuclear hormone receptor-like 1 0.0043 0.0062 0.0154
Echinococcus granulosus Nuclear hormone receptor family member nhr 41 0.0082 0.0524 0.0634
Echinococcus multilocularis Nuclear hormone receptor family member nhr 41 0.0082 0.0524 0.0634
Trypanosoma brucei DNA polymerase kappa, putative 0.0044 0.0068 0.0135
Echinococcus granulosus nuclear receptor 2DBD gamma 0.0082 0.0524 0.0634
Echinococcus granulosus nuclear receptor 2DBD gamma 0.0082 0.0524 0.0634
Trypanosoma cruzi hypothetical protein, conserved 0.0097 0.0709 0.2056
Echinococcus multilocularis retinoic acid receptor rxr beta a retinoic acid receptor rxr alpha a retinoic acid receptor rxr alpha 0.0038 0.0007 0.0008
Loa Loa (eye worm) nuclear hormone receptor family member nhr-49 0.0082 0.0524 0.1277
Loa Loa (eye worm) hypothetical protein 0.0097 0.0709 0.1734
Loa Loa (eye worm) nuclear hormone receptor family member nhr-14 0.0082 0.0524 0.1277
Mycobacterium ulcerans fructose-bisphosphate aldolase 0.015 0.1348 0.3325
Trichomonas vaginalis GTP-binding protein rit, putative 0.006 0.027 0.0639
Loa Loa (eye worm) hypoxia-induced factor 1 0.0159 0.1447 0.3557
Echinococcus granulosus thioredoxin glutathione reductase 0.004 0.0029 0.0036
Brugia malayi nuclear receptor NHR-88 0.0082 0.0524 0.1292
Trichomonas vaginalis fructose-bisphosphate aldolase, putative 0.0308 0.3236 1
Trypanosoma brucei DNA polymerase kappa, putative 0.0044 0.0068 0.0135
Schistosoma mansoni ecdysone-induced protein 78c (dr-78) 0.0043 0.0062 0.0055
Leishmania major mitochondrial DNA polymerase beta-PAK, putative 0.0151 0.135 0.3978
Echinococcus granulosus nuclear receptor nhr 48 0.0038 0.0007 0.0008
Plasmodium falciparum cysteine repeat modular protein 1 0.0097 0.0709 0.2439
Brugia malayi Nuclear hormone receptor family member nhr-14 0.0082 0.0524 0.1292
Brugia malayi ecdysone receptor 0.0038 0.0007 0.0017
Brugia malayi conserved hypotetical protein 0.0038 0.0007 0.0017
Schistosoma mansoni nuclear hormone receptor 0.0082 0.0524 0.0517
Echinococcus multilocularis nuclear receptor nhr 48 0.0038 0.0007 0.0008
Toxoplasma gondii bifunctional dihydrofolate reductase-thymidylate synthase 0.0274 0.2834 1
Trypanosoma cruzi DNA topoisomerase type IB small subunit, putative 0.005 0.0144 0.0363
Mycobacterium tuberculosis Hypothetical protein 0.005 0.014 0.029
Echinococcus granulosus nuclear receptor subfamily 1 group D 0.0043 0.0062 0.0075
Trypanosoma brucei DNA polymerase kappa, putative 0.0044 0.0068 0.0135
Entamoeba histolytica fructose-1,6-bisphosphate aldolase, putative 0.0308 0.3236 1
Schistosoma mansoni dihydrofolate reductase 0.0376 0.4055 0.405
Brugia malayi Dihydrofolate reductase 0.0376 0.4055 1
Schistosoma mansoni retinoid-x-receptor (RXR) 0.0082 0.0524 0.0517
Trypanosoma brucei DNA polymerase kappa, putative 0.0044 0.0068 0.0135
Toxoplasma gondii DNA topoisomerase I, putative 0.0199 0.1929 0.6779
Brugia malayi Nuclear hormone receptor family member nhr-19 0.0082 0.0524 0.1292
Loa Loa (eye worm) nuclear hormone receptor family member nhr-1 0.0082 0.0524 0.1277
Brugia malayi Nuclear hormone receptor E75 0.0038 0.0007 0.0017
Mycobacterium leprae Probable fructose bisphosphate aldolase Fba 0.015 0.1348 0.2086
Trypanosoma cruzi mitochondrial DNA polymerase beta, putative 0.0318 0.3359 1
Brugia malayi Ras-related protein R-Ras2 0.006 0.027 0.0667
Schistosoma mansoni DNA topoisomerase type I 0.0199 0.1929 0.1923
Schistosoma mansoni bifunctional dihydrofolate reductase-thymidylate synthase 0.0104 0.0795 0.0789
Echinococcus multilocularis ecdysone induced protein 78C 0.0082 0.0524 0.0634
Brugia malayi hypothetical protein 0.0038 0.0007 0.0017
Loa Loa (eye worm) hypothetical protein 0.0082 0.0524 0.1277
Trypanosoma cruzi mitochondrial DNA polymerase beta-PAK, putative 0.0151 0.135 0.3978
Echinococcus granulosus ecdysone induced protein 78C 0.0082 0.0524 0.0634
Brugia malayi Thioredoxin reductase 0.004 0.0023 0.0057
Mycobacterium ulcerans thymidylate synthase 0.0104 0.0795 0.1962
Brugia malayi Kringle domain containing protein 0.0097 0.0709 0.1748
Brugia malayi ecdysteroid receptor 0.0082 0.0524 0.1292
Onchocerca volvulus Bile acid receptor homolog 0.0082 0.0524 0.2066
Trypanosoma cruzi mitochondrial DNA polymerase beta-PAK, putative 0.0045 0.0082 0.0176
Loa Loa (eye worm) thioredoxin reductase 0.004 0.0023 0.004
Trypanosoma brucei DNA topoisomerase IB, large subunit 0.0149 0.133 0.3918
Trypanosoma brucei DNA polymerase IV, putative 0.0044 0.0068 0.0135
Loa Loa (eye worm) nuclear hormone receptor family member nhr-31 0.0082 0.0524 0.1277
Brugia malayi orphan nuclear receptor NR2E1 0.0038 0.0007 0.0017
Schistosoma mansoni Tr4/Tr2 (homologue) 0.0082 0.0524 0.0517
Schistosoma mansoni FTZ-F1 nuclear receptor-like protein 0.0082 0.0524 0.0517
Trypanosoma cruzi mitochondrial DNA polymerase beta-PAK, putative 0.0054 0.0199 0.0527
Loa Loa (eye worm) pre-SET domain-containing protein family protein 0.0219 0.2173 0.5352
Loa Loa (eye worm) hypothetical protein 0.0043 0.0062 0.0137
Loa Loa (eye worm) nuclear hormone receptor family member nhr-40 0.0082 0.0524 0.1277
Schistosoma mansoni nuclear receptor 2DBD-gamma 0.0082 0.0524 0.0517
Brugia malayi hypothetical protein 0.0172 0.1606 0.3961
Loa Loa (eye worm) nuclear hormone receptor-like 1 0.0043 0.0062 0.0137
Trichomonas vaginalis set domain proteins, putative 0.0249 0.2536 0.7792
Brugia malayi glutathione reductase 0.004 0.0023 0.0057
Loa Loa (eye worm) hypothetical protein 0.0082 0.0524 0.1277

Activities

Activity type Activity value Assay description Source Reference
Activity (functional) = 51 % Compound was tested in vivo for the measurement of glucose levels in db/db mice at a dose of 100 mg/kg ChEMBL. 14505666
Activity (functional) = 51 % Compound was tested in vivo for the measurement of glucose levels in db/db mice at a dose of 100 mg/kg ChEMBL. 14505666
Activity (functional) = 60 % Compound was tested in vivo for the measurement of triglyceride levels in db/db mice at a dose of 100 mg/kg ChEMBL. 14505666
Activity (functional) = 60 % Compound was tested in vivo for the measurement of triglyceride levels in db/db mice at a dose of 100 mg/kg ChEMBL. 14505666
Decrease in blood glucose (functional) = 35 % Antihyperglycemic activity in obese mice(ob/ob) at 1 mg/kg peroral administration ChEMBL. 10098657
Decrease in blood glucose (functional) = 35 % Antihyperglycemic activity in obese mice(ob/ob) at 1 mg/kg peroral administration ChEMBL. 10098657
Decrease in blood glucose (functional) = 53 % Antihyperglycemic activity in obese mice(ob/ob) at 3 mg/kg peroral administration ChEMBL. 10098657
Decrease in blood glucose (functional) = 53 % Antihyperglycemic activity in obese mice(ob/ob) at 3 mg/kg peroral administration ChEMBL. 10098657
Decrease in blood glucose (functional) = 58 % Antihyperglycemic activity was determined in obese (ob/ob) mice by po administration at a dose of 10 mg/kg ChEMBL. 10098657
Decrease in blood glucose (functional) = 58 % Antihyperglycemic activity was determined in obese (ob/ob) mice by po administration at a dose of 10 mg/kg ChEMBL. 10098657
EC50 (binding) = 922 nM Binding affinity at human PPAR alpha ChEMBL. 11405642
EC50 (binding) = 922 nM Binding affinity at human PPAR alpha ChEMBL. 11405642
EC50 (binding) = 1090 nM Binding affinity at human PPAR gamma ChEMBL. 11405642
EC50 (binding) = 1090 nM Binding affinity at human PPAR gamma ChEMBL. 11405642
EC50 (functional) = 0.083 uM Agonist activity for Human PPAR gamma receptor in transcriptional activation assay ChEMBL. 10691680
EC50 (functional) = 0.083 uM Agonist activity for Human PPAR gamma receptor in transcriptional activation assay ChEMBL. 10691680
EC50 (functional) = 0.14 uM Agonist activity for murine PPAR gamma receptor in transcriptional activation assay ChEMBL. 10691680
EC50 (functional) = 0.14 uM Agonist activity for murine PPAR gamma receptor in transcriptional activation assay ChEMBL. 10691680
EC50 (functional) = 0.4 uM Agonist activity at human PPARalpha-LBD expressed in CV1 cells co-transfected with Gal4 after 40 hrs by luciferase based transactivation assay ChEMBL. 21515063
EC50 (functional) = 0.8 uM Agonist activity on Gal4 chimeric human Peroxisome proliferator activated receptor gamma expressed in KRP-297 cells ChEMBL. 12904063
EC50 (binding) = 0.8 uM Concentration of compound that affords half-maximum transactivation of human Peroxisome proliferator activated receptor gamma in CHO-K1 cells was determined in vitro ChEMBL. 11738577
EC50 (functional) = 0.8 uM Agonistic activity of the compound for human Peroxisome proliferator activated receptor gamma ChEMBL. 12672231
EC50 (binding) = 0.8 uM Effective concentration against human peroxisome proliferator activated receptor gamma in Gal4 transactivation assay ChEMBL. 15293980
EC50 (functional) = 0.8 uM Agonist activity on Gal4 chimeric human Peroxisome proliferator activated receptor gamma expressed in KRP-297 cells ChEMBL. 12904063
EC50 (binding) = 0.8 uM Concentration of compound that affords half-maximum transactivation of human Peroxisome proliferator activated receptor gamma in CHO-K1 cells was determined in vitro ChEMBL. 11738577
EC50 (functional) = 0.8 uM Agonistic activity of the compound for human Peroxisome proliferator activated receptor gamma ChEMBL. 12672231
EC50 (binding) = 0.8 uM Effective concentration against human peroxisome proliferator activated receptor gamma in Gal4 transactivation assay ChEMBL. 15293980
EC50 (functional) = 0.8 uM Agonist activity at GAL4-fused PPARalpha assessed as transcriptional activity by cell based assay ChEMBL. 23084275
EC50 (functional) = 0.85 uM Agonist activity for Human PPAR alpha receptor in transcriptional activation assay ChEMBL. 10691680
EC50 (functional) = 0.85 uM Agonist activity for Human PPAR alpha receptor in transcriptional activation assay ChEMBL. 10691680
EC50 (binding) = 0.85 uM Transactivation activity at Homo sapiens (human) PPARgamma ChEMBL. No reference
EC50 (functional) = 0.9 uM Agonist activity at human PPARgamma-LBD expressed in CV1 cells co-transfected with Gal4 after 40 hrs by luciferase based transactivation assay ChEMBL. 21515063
EC50 (functional) = 1 uM In vitro effective concentration for agonist activity on human Peroxisome proliferator activated receptor alpha-Gal4 chimeric receptor in transfected KRP-297 cells ChEMBL. 12904063
EC50 (binding) = 1 uM Transactivation of human Peroxisome proliferator activated receptor alpha expressed in CHO-K1 cells ChEMBL. 11738577
EC50 (functional) = 1 uM Agonistic activity of the compound for Peroxisome proliferator activated receptor alpha ChEMBL. 12672231
EC50 (binding) = 1 uM Effective concentration against human peroxisome proliferator activated receptor alpha in Gal4 transactivation assay ChEMBL. 15293980
EC50 (functional) = 1 uM In vitro effective concentration for agonist activity on human Peroxisome proliferator activated receptor alpha-Gal4 chimeric receptor in transfected KRP-297 cells ChEMBL. 12904063
EC50 (binding) = 1 uM Transactivation of human Peroxisome proliferator activated receptor alpha expressed in CHO-K1 cells ChEMBL. 11738577
EC50 (functional) = 1 uM Agonistic activity of the compound for Peroxisome proliferator activated receptor alpha ChEMBL. 12672231
EC50 (binding) = 1 uM Effective concentration against human peroxisome proliferator activated receptor alpha in Gal4 transactivation assay ChEMBL. 15293980
EC50 (functional) = 1 uM Agonist activity at GAL4-fused PPARgamma assessed as transcriptional activity by cell based assay ChEMBL. 23084275
EC50 (functional) = 7.2 uM Agonist activity for murine PPAR delta receptor in transcriptional activation assay ChEMBL. 10691680
EC50 (functional) = 7.2 uM Agonist activity for murine PPAR delta receptor in transcriptional activation assay ChEMBL. 10691680
EC50 (functional) = 9.1 uM Agonist activity for Human PPAR delta receptor in transcriptional activation assay ChEMBL. 10691680
EC50 (functional) = 9.1 uM Agonist activity for Human PPAR delta receptor in transcriptional activation assay ChEMBL. 10691680
EC50 (functional) = 10 uM Agonist activity for murine PPAR alpha receptor in transcriptional activation assay ChEMBL. 10691680
EC50 (functional) = 10 uM Agonist activity for murine PPAR alpha receptor in transcriptional activation assay ChEMBL. 10691680
EC50 (functional) > 10 uM Agonist activity at human PPARdelta-LBD expressed in CV1 cells co-transfected with Gal4 after 40 hrs by luciferase based transactivation assay ChEMBL. 21515063
Efficacy (functional) = 54 % Transcriptional activation in CV-1 cells expressing hPPARalpha ChEMBL. 11405642
Efficacy (functional) = 54 % Transcriptional activation in CV-1 cells expressing hPPARalpha ChEMBL. 11405642
Efficacy (functional) = 109 % Transcriptional activation in CV- cells expressing hPPARgamma ChEMBL. 11405642
Efficacy (functional) = 109 % Transcriptional activation in CV- cells expressing hPPARgamma ChEMBL. 11405642
IA (functional) In vitro effective concentration for agonist activity on human Peroxisome proliferator activated receptor delta-GAL4 chimeric receptor in transfected KRP-297 cells at 10 microM; inactive ChEMBL. 12904063
IA (functional) 0 In vitro effective concentration for agonist activity on human Peroxisome proliferator activated receptor delta-GAL4 chimeric receptor in transfected KRP-297 cells at 10 microM; inactive ChEMBL. 12904063
IC50 (binding) = 463 nM Binding affinity at human peroxidase proliferator activated receptor gamma (hPPARgamma) ChEMBL. 11405642
IC50 (binding) = 463 nM Binding affinity at human peroxidase proliferator activated receptor gamma (hPPARgamma) ChEMBL. 11405642
IC50 (binding) = 914 nM Binding affinity towards human peroxidase proliferator activated receptor alpha (hPPARalpha) ChEMBL. 11405642
IC50 (binding) = 914 nM Binding affinity towards human peroxidase proliferator activated receptor alpha (hPPARalpha) ChEMBL. 11405642
Kd (binding) = 228 nM Binding affinity for Peroxisome proliferator activated receptor alpha (PPAR alpha) ChEMBL. 10098657
Kd (binding) = 228 nM Binding affinity for Peroxisome proliferator activated receptor alpha (PPAR alpha) ChEMBL. 10098657
Kd (binding) = 230 nM Binding affinity towards peroxisome proliferator activated receptor alpha ChEMBL. 16220969
Kd (binding) = 230 nM Binding affinity towards peroxisome proliferator activated receptor alpha ChEMBL. 16220969
Kd (binding) = 326 nM Binding affinity for Peroxisome proliferator activated receptor gamma (PPAR gamma) ChEMBL. 10098657
Kd (binding) = 326 nM Binding affinity for Peroxisome proliferator activated receptor gamma (PPAR gamma) ChEMBL. 10098657
Kd (binding) = 330 nM Binding affinity towards peroxisome proliferator activated receptor gamma ChEMBL. 16220969
Kd (binding) = 330 nM Binding affinity towards peroxisome proliferator activated receptor gamma ChEMBL. 16220969
Ki (binding) = 0.23 uM Binding affinity for human peroxisome proliferator activated receptor alpha ChEMBL. 15293980
Ki (binding) = 0.23 uM Binding affinity for human peroxisome proliferator activated receptor alpha ChEMBL. 15293980
Ki (binding) = 0.33 uM Binding affinity for human peroxisome proliferator activated receptor gamma ChEMBL. 15293980
Ki (binding) = 0.33 uM Binding affinity for human peroxisome proliferator activated receptor gamma ChEMBL. 15293980
Rate of decrease (functional) = 55 % In vivo decrease in insulin in obese mice(ob/ob) at 0.3 mg/kg/day peroral administration for 2 weeks ChEMBL. 10098657
Rate of decrease (functional) = 55 % In vivo decrease in insulin in obese mice(ob/ob) at 0.3 mg/kg/day peroral administration for 2 weeks ChEMBL. 10098657
Rate of decrease (functional) = 59 % In vivo decrease in insulin in obese mice(ob/ob) at 1 mg/kg/day peroral administration for 2 weeks ChEMBL. 10098657
Rate of decrease (functional) = 59 % In vivo decrease in insulin in obese mice(ob/ob) at 1 mg/kg/day peroral administration for 2 weeks ChEMBL. 10098657
Rate of decrease (functional) = 67 % In vivo decrease in triglyceride in obese mice(ob/ob) by 0.3 mg/kg/day peroral administration for 2 weeks ChEMBL. 10098657
Rate of decrease (functional) = 67 % In vivo decrease in triglyceride in obese mice(ob/ob) by 0.3 mg/kg/day peroral administration for 2 weeks ChEMBL. 10098657
Rate of decrease (functional) = 77 % In vivo decrease in glucose in obese mice(ob/ob) by 0.3 mg/kg/day peroral administration for 2 weeks ChEMBL. 10098657
Rate of decrease (functional) = 77 % In vivo decrease in glucose in obese mice(ob/ob) by 0.3 mg/kg/day peroral administration for 2 weeks ChEMBL. 10098657
Rate of decrease (functional) = 78 % In vivo decrease in glucose in obese mice(ob/ob) at 1 mg/kg/day peroral administration for 2 weeks ChEMBL. 10098657
Rate of decrease (functional) = 78 % In vivo decrease in glucose in obese mice(ob/ob) at 1 mg/kg/day peroral administration for 2 weeks ChEMBL. 10098657
Rate of decrease (functional) = 80 % In vivo decrease in glucose in obese mice(ob/ob) by 1 mg/kg/day peroral administration for 2 weeks ChEMBL. 10098657
Rate of decrease (functional) = 80 % In vivo decrease in glucose in obese mice(ob/ob) by 1 mg/kg/day peroral administration for 2 weeks ChEMBL. 10098657
Rate of decrease (functional) = 83 % In vivo decrease in insulin in obese mice(ob/ob) at 3 mg/kg/day peroral administration for 2 weeks ChEMBL. 10098657
Rate of decrease (functional) = 83 % In vivo decrease in insulin in obese mice(ob/ob) at 3 mg/kg/day peroral administration for 2 weeks ChEMBL. 10098657
Rate of decrease (functional) = 87 % IIn vivo decrease in insulin in obese mice(ob/ob) at 10 mg/kg/day peroral administration for 2 weeks ChEMBL. 10098657
Rate of decrease (functional) = 87 % IIn vivo decrease in insulin in obese mice(ob/ob) at 10 mg/kg/day peroral administration for 2 weeks ChEMBL. 10098657
Rate of decrease (functional) = 95 % In vivo decrease in glucose in obese mice(ob/ob) at 3 mg/kg/day peroral administration for 2 weeks ChEMBL. 10098657
Rate of decrease (functional) = 95 % In vivo decrease in glucose in obese mice(ob/ob) at 3 mg/kg/day peroral administration for 2 weeks ChEMBL. 10098657
Rate of decrease (functional) = 100 % In vivo decrease in glucose in obese mice(ob/ob) at 10 mg/kg/day peroral administration for 2 weeks ChEMBL. 10098657
Rate of decrease (functional) = 100 % In vivo decrease in glucose in obese mice(ob/ob) at 10 mg/kg/day peroral administration for 2 weeks ChEMBL. 10098657
Rate of decrease (functional) = 122 % In vivo decrease in triglyceride in obese mice(ob/ob) by 3 mg/kg/day peroral administration for 2 weeks ChEMBL. 10098657
Rate of decrease (functional) = 122 % In vivo decrease in triglyceride in obese mice(ob/ob) by 3 mg/kg/day peroral administration for 2 weeks ChEMBL. 10098657
Rate of decrease (functional) = 130 % In vivo decrease in glucose in obese mice(ob/ob) by 10 mg/kg/day peroral administration for 2 weeks ChEMBL. 10098657
Rate of decrease (functional) = 130 % In vivo decrease in glucose in obese mice(ob/ob) by 10 mg/kg/day peroral administration for 2 weeks ChEMBL. 10098657

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

11 literature references were collected for this gene.

If you have references for this compound, please enter them in a user comment (below) or Contact us.