Detailed information for compound 62787

Basic information

Technical information
  • TDR Targets ID: 62787
  • Name: 2-(4-chloro-3-methylphenyl)-1-(4-methylsulfon ylphenyl)-4-(trifluoromethyl)imidazole
  • MW: 414.829 | Formula: C18H14ClF3N2O2S
  • H donors: 0 H acceptors: 3 LogP: 4.48 Rotable bonds: 4
    Rule of 5 violations (Lipinski): 1
  • SMILES: Clc1ccc(cc1C)c1nc(cn1c1ccc(cc1)S(=O)(=O)C)C(F)(F)F
  • InChi: 1S/C18H14ClF3N2O2S/c1-11-9-12(3-8-15(11)19)17-23-16(18(20,21)22)10-24(17)13-4-6-14(7-5-13)27(2,25)26/h3-10H,1-2H3
  • InChiKey: DZZRVNYSBGNSMV-UHFFFAOYSA-N  


Substructure search Similarity search

Network

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Synonyms

  • 2-(4-chloro-3-methyl-phenyl)-1-(4-methylsulfonylphenyl)-4-(trifluoromethyl)imidazole
  • 2-(4-chloro-3-methyl-phenyl)-1-(4-mesylphenyl)-4-(trifluoromethyl)imidazole

Targets

Known targets for this compound

Species Target name Source Bibliographic reference
Homo sapiens prostaglandin-endoperoxide synthase 2 (prostaglandin G/H synthase and cyclooxygenase) Starlite/ChEMBL References
Homo sapiens prostaglandin-endoperoxide synthase 1 (prostaglandin G/H synthase and cyclooxygenase) 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
No druggable targets predicted by sequence similarity
Obtained from network model

Ranking Plot

Putative Targets List

Species Potential target Raw Global Species
Onchocerca volvulus 0.0063 0.0624 0.0952
Trichomonas vaginalis fructose-bisphosphate aldolase, putative 0.0311 0.4084 1
Loa Loa (eye worm) hypothetical protein 0.0043 0.0343 0.0543
Echinococcus granulosus ATP dependent DNA helicase Q1 0.003 0.0163 0.0146
Trypanosoma cruzi trypanothione reductase, putative 0.004 0.03 0.0672
Mycobacterium leprae Probable fructose bisphosphate aldolase Fba 0.0152 0.1861 1
Loa Loa (eye worm) hypothetical protein 0.0021 0.0024 0.0037
Trypanosoma cruzi DNA polymerase beta thumb, putative 0.0045 0.0369 0.0835
Giardia lamblia High cysteine protein 0.0021 0.0024 0.0016
Plasmodium vivax 6-phosphofructokinase, putative 0.0031 0.0174 0.5551
Echinococcus multilocularis neurogenic locus notch protein 0.0021 0.0024 0.0007
Schistosoma mansoni jumonji/arid domain-containing protein 0.0065 0.064 0.0624
Echinococcus multilocularis protein jagged 1 0.0021 0.0024 0.0007
Loa Loa (eye worm) hypothetical protein 0.0063 0.0624 0.0986
Schistosoma mansoni jumonji/arid domain-containing protein 0.0065 0.064 0.0624
Loa Loa (eye worm) hypothetical protein 0.0159 0.1959 0.3097
Trypanosoma cruzi mitochondrial DNA polymerase beta-PAK, putative 0.0055 0.0507 0.1163
Brugia malayi Animal haem peroxidase family protein 0.0063 0.0624 0.0962
Brugia malayi ATP-dependent DNA helicase, RecQ family protein 0.003 0.0163 0.0232
Echinococcus multilocularis transcription factor Dp 1 0.0041 0.0306 0.0289
Echinococcus granulosus bromodomain adjacent to zinc finger domain 0.0064 0.0625 0.0609
Chlamydia trachomatis pyruvate kinase 0.0036 0.0233 1
Echinococcus multilocularis peroxidasin 0.0063 0.0624 0.0608
Echinococcus multilocularis lysine specific demethylase 5A 0.0063 0.0612 0.0596
Trichomonas vaginalis fructose-bisphosphate aldolase, putative 0.0311 0.4084 1
Loa Loa (eye worm) hypothetical protein 0.0021 0.0024 0.0037
Echinococcus granulosus pyruvate kinase 0.0036 0.0233 0.0217
Brugia malayi Pyruvate kinase, muscle isozyme 0.0036 0.0233 0.0343
Treponema pallidum diphosphate--fructose-6-phosphate 1-phosphotransferase 0.0031 0.0174 0.0386
Echinococcus multilocularis ATP dependent DNA helicase Q1 0.003 0.0163 0.0146
Mycobacterium leprae PROBABLE 6-PHOSPHOFRUCTOKINASE PFKA (PHOSPHOHEXOKINASE) (PHOSPHOFRUCTOKINASE) 0.0116 0.1354 0.6885
Loa Loa (eye worm) hypothetical protein 0.0041 0.0308 0.0487
Echinococcus multilocularis ubiquitin specific protease 41 0.0039 0.0287 0.0271
Echinococcus multilocularis thioredoxin glutathione reductase 0.0041 0.0307 0.0291
Plasmodium falciparum thioredoxin reductase 0.004 0.03 0.9626
Echinococcus granulosus lysine specific demethylase 5A 0.0065 0.064 0.0624
Echinococcus granulosus zinc finger protein 0.0021 0.0028 0.0011
Echinococcus granulosus ATP dependent DNA helicase Q5 0.003 0.0163 0.0146
Loa Loa (eye worm) hypothetical protein 0.0021 0.0024 0.0037
Brugia malayi EGF-like domain containing protein 0.0021 0.0024 0.0011
Trichomonas vaginalis fructose-bisphosphate aldolase, putative 0.0311 0.4084 1
Echinococcus multilocularis bloom syndrome protein 0.0044 0.0349 0.0333
Plasmodium vivax glutathione reductase, putative 0.004 0.03 1
Brugia malayi EGF-like domain containing protein 0.0021 0.0024 0.0011
Onchocerca volvulus Pyruvate kinase homolog 0.0036 0.0233 0.0333
Brugia malayi Cadherin domain containing protein 0.0021 0.0024 0.0011
Trypanosoma brucei ATP-dependent 6-phosphofructokinase, glycosomal 0.0116 0.1354 0.3174
Brugia malayi jmjC domain containing protein 0.0065 0.064 0.0988
Mycobacterium tuberculosis Conserved hypothetical protein 0.0169 0.2103 1
Loa Loa (eye worm) tyrosyl-DNA phosphodiesterase 0.007 0.0719 0.1137
Brugia malayi PHD-finger family protein 0.0027 0.0108 0.0144
Trichomonas vaginalis fructose-bisphosphate aldolase, putative 0.0311 0.4084 1
Toxoplasma gondii ATP-dependent DNA helicase, RecQ family protein 0.003 0.0163 0.3284
Brugia malayi Bromodomain containing protein 0.008 0.0853 0.1325
Loa Loa (eye worm) hypothetical protein 0.0021 0.0024 0.0037
Trypanosoma brucei squalene monooxygenase, putative 0.0266 0.3449 0.815
Trichomonas vaginalis phosphofructokinase, putative 0.0116 0.1354 0.3287
Loa Loa (eye worm) jmjC domain-containing protein 0.0065 0.064 0.1012
Echinococcus multilocularis pyruvate kinase 0.0028 0.0129 0.0112
Trichomonas vaginalis DNA helicase recq1, putative 0.0044 0.0349 0.0817
Schistosoma mansoni notch 0.0021 0.0024 0.0007
Trichomonas vaginalis alpha-glucosidase, putative 0.0039 0.0275 0.0634
Echinococcus multilocularis lysosomal alpha glucosidase 0.0174 0.216 0.2147
Schistosoma mansoni bromodomain containing protein 0.0067 0.0678 0.0663
Brugia malayi phosphofructokinase 0.0116 0.1354 0.2119
Brugia malayi EGF-like domain containing protein 0.0021 0.0024 0.0011
Mycobacterium tuberculosis Dihydrolipoamide dehydrogenase LpdC (lipoamide reductase (NADH)) (lipoyl dehydrogenase) (dihydrolipoyl dehydrogenase) (diaphoras 0.0102 0.1164 0.5497
Brugia malayi Bloom's syndrome protein homolog 0.0044 0.0349 0.0527
Plasmodium vivax pyruvate kinase, putative 0.0036 0.0233 0.765
Onchocerca volvulus 0.0063 0.0624 0.0952
Brugia malayi Calcium binding EGF domain containing protein 0.0021 0.0024 0.0011
Onchocerca volvulus 0.01 0.1139 0.177
Toxoplasma gondii pyruvate kinase PyK1 0.0036 0.0233 0.4866
Brugia malayi Tyrosyl-DNA phosphodiesterase family protein 0.007 0.0719 0.1113
Trichomonas vaginalis neutral alpha-glucosidase ab precursor, putative 0.0039 0.0275 0.0634
Brugia malayi Cadherin domain containing protein 0.0021 0.0024 0.0011
Trichomonas vaginalis DNA helicase recq, putative 0.0044 0.0349 0.0817
Brugia malayi EGF-like domain containing protein 0.0021 0.0024 0.0011
Leishmania major pyruvate kinase 0.0036 0.0233 0.0514
Loa Loa (eye worm) hypothetical protein 0.0063 0.0624 0.0986
Echinococcus multilocularis Protein lozenge 0.0059 0.0564 0.0548
Echinococcus multilocularis neurogenic locus notch protein 4 0.0021 0.0024 0.0007
Mycobacterium tuberculosis NAD(P)H quinone reductase LpdA 0.0102 0.1164 0.5497
Echinococcus granulosus protein jagged 2 0.0021 0.0024 0.0007
Trypanosoma brucei trypanothione reductase 0.004 0.03 0.0672
Loa Loa (eye worm) hypothetical protein 0.0063 0.0624 0.0986
Brugia malayi hypothetical protein 0.0063 0.0624 0.0962
Brugia malayi Ubiquitin carboxyl-terminal hydrolase family protein 0.0039 0.0287 0.0428
Mycobacterium tuberculosis Probable NADH dehydrogenase Ndh 0.0092 0.1021 0.4811
Echinococcus multilocularis neutral alpha glucosidase AB 0.0039 0.0275 0.0258
Trichomonas vaginalis alpha-glucosidase, putative 0.0039 0.0275 0.0634
Mycobacterium ulcerans 6-phosphofructokinase 0.0116 0.1354 0.6408
Brugia malayi glutathione reductase 0.004 0.03 0.0448
Echinococcus multilocularis tyrosyl DNA phosphodiesterase 1 0.007 0.0719 0.0703
Echinococcus multilocularis fat cadherin tumor suppressor 0.0021 0.0024 0.0007
Onchocerca volvulus Pyruvate kinase homolog 0.0036 0.0233 0.0333
Echinococcus granulosus tyrosyl DNA phosphodiesterase 1 0.007 0.0719 0.0703
Toxoplasma gondii glycosyl hydrolase, family 31 protein 0.0039 0.0275 0.58
Echinococcus multilocularis fibropellin Ia 0.0021 0.0024 0.0007
Loa Loa (eye worm) hypothetical protein 0.0063 0.0624 0.0986
Toxoplasma gondii ATP-dependent DNA helicase, RecQ family protein 0.0026 0.0094 0.1728
Entamoeba histolytica phosphofructokinase, putative 0.0116 0.1354 0.3287
Trichomonas vaginalis Clan CA, family C19, ubiquitin hydrolase-like cysteine peptidase 0.0039 0.0287 0.0665
Loa Loa (eye worm) hypothetical protein 0.0021 0.0024 0.0037
Loa Loa (eye worm) animal heme peroxidase 0.0063 0.0624 0.0986
Schistosoma mansoni jumonji domain containing protein 0.0063 0.0612 0.0596
Plasmodium falciparum ATP-dependent 6-phosphofructokinase 0.0031 0.0174 0.5344
Trichomonas vaginalis phosphofructokinase, putative 0.0031 0.0174 0.0386
Echinococcus granulosus transcription factor Dp 1 0.0041 0.0306 0.0289
Echinococcus multilocularis Transcription factor, JmjC domain containing protein 0.0063 0.0612 0.0596
Brugia malayi Transmembrane cell adhesion receptor mua-3 precursor, putative 0.0021 0.0024 0.0011
Echinococcus granulosus peroxidasin 0.0063 0.0624 0.0608
Schistosoma mansoni microtubule-associated protein tau 0.0735 1 1
Schistosoma mansoni pyruvate kinase 0.0036 0.0233 0.0217
Trichomonas vaginalis fructose-bisphosphate aldolase, putative 0.0311 0.4084 1
Plasmodium vivax ADP-dependent DNA helicase RecQ, putative 0.0026 0.0102 0.3009
Trypanosoma cruzi ubiquitin carboxyl-terminal hydrolase, putative 0.0039 0.0287 0.0642
Onchocerca volvulus Pyruvate kinase homolog 0.0036 0.0233 0.0333
Toxoplasma gondii 6-phosphofructokinase 0.0031 0.0174 0.3531
Leishmania major alpha glucosidase II subunit, putative 0.0039 0.0275 0.0612
Loa Loa (eye worm) hypothetical protein 0.0021 0.0024 0.0037
Schistosoma mansoni hypothetical protein 0.0021 0.0024 0.0007
Schistosoma mansoni alpha-glucosidase 0.0149 0.1823 0.1809
Leishmania major squalene monooxygenase-like protein 0.0266 0.3449 0.815
Trichomonas vaginalis phosphofructokinase, putative 0.0116 0.1354 0.3287
Brugia malayi ATP-dependent DNA helicase, RecQ family protein 0.003 0.0163 0.0232
Trypanosoma cruzi mitochondrial DNA polymerase beta-PAK, putative 0.0152 0.1863 0.4383
Schistosoma mansoni acetyl-CoA C-acetyltransferase 0.0024 0.0073 0.0056
Mycobacterium leprae DIHYDROLIPOAMIDE DEHYDROGENASE LPD (LIPOAMIDE REDUCTASE (NADH)) (LIPOYL DEHYDROGENASE) (DIHYDROLIPOYL DEHYDROGENASE) (DIAPHORASE 0.0102 0.1164 0.5718
Loa Loa (eye worm) ATP-dependent DNA helicase 0.003 0.0163 0.0258
Loa Loa (eye worm) thioredoxin reductase 0.004 0.03 0.0474
Schistosoma mansoni notch 0.0021 0.0024 0.0007
Leishmania major ubiquitin hydrolase, putative,cysteine peptidase, Clan CA, family C19, putative 0.0039 0.0287 0.0642
Schistosoma mansoni septate junction protein 0.0021 0.0024 0.0007
Loa Loa (eye worm) hypothetical protein 0.0063 0.0624 0.0986
Mycobacterium tuberculosis Probable dehydrogenase 0.0092 0.1021 0.4811
Echinococcus multilocularis bromodomain adjacent to zinc finger domain 0.0064 0.0625 0.0609
Loa Loa (eye worm) hypothetical protein 0.0063 0.0624 0.0986
Plasmodium falciparum ATP-dependent 6-phosphofructokinase 0.0031 0.0174 0.5344
Loa Loa (eye worm) hypothetical protein 0.0063 0.0624 0.0986
Echinococcus granulosus Transcription factor JmjC domain containing protein 0.0063 0.0612 0.0596
Mycobacterium tuberculosis Probable reductase 0.0092 0.1021 0.4811
Trypanosoma cruzi ubiquitin carboxyl-terminal hydrolase, putative 0.0039 0.0287 0.0642
Entamoeba histolytica phosphofructokinase, putative 0.0116 0.1354 0.3287
Echinococcus granulosus ubiquitin specific protease 41 0.0039 0.0287 0.0271
Trypanosoma brucei glucosidase, putative 0.0039 0.0275 0.0612
Echinococcus multilocularis ubiquitin carboxyl terminal hydrolase 8 0.0039 0.0287 0.0271
Schistosoma mansoni notch 0.0021 0.0024 0.0007
Loa Loa (eye worm) hypothetical protein 0.0021 0.0024 0.0037
Onchocerca volvulus Peroxidasin homolog 0.0063 0.0624 0.0952
Loa Loa (eye worm) exodeoxyribonuclease III family protein 0.002 0.0017 0.0027
Loa Loa (eye worm) hypothetical protein 0.0063 0.0624 0.0986
Toxoplasma gondii phosphofructokinase domain-containing protein 0.0031 0.0174 0.3531
Echinococcus granulosus ubiquitin carboxyl terminal hydrolase 8 0.0039 0.0287 0.0271
Trichomonas vaginalis 6-phosphofructokinase, putative 0.0031 0.0174 0.0386
Toxoplasma gondii phosphofructokinase PFKII 0.0031 0.0174 0.3531
Echinococcus multilocularis protein jagged 2 0.0021 0.0024 0.0007
Echinococcus granulosus neurogenic locus notch protein 4 0.0021 0.0024 0.0007
Entamoeba histolytica pyrophosphate-dependent phosphofructokinase 0.0031 0.0174 0.0386
Trypanosoma cruzi DNA polymerase beta thumb, putative 0.0045 0.0369 0.0835
Trichomonas vaginalis neutral alpha-glucosidase ab precursor, putative 0.0039 0.0275 0.0634
Loa Loa (eye worm) hypothetical protein 0.0029 0.0141 0.0222
Schistosoma mansoni cell polarity protein 0.0021 0.0024 0.0007
Schistosoma mansoni peroxidasin 0.0063 0.0624 0.0608
Loa Loa (eye worm) animal heme peroxidase 0.0063 0.0624 0.0986
Loa Loa (eye worm) hypothetical protein 0.0045 0.0372 0.0587
Brugia malayi Apoptosis regulator proteins, Bcl-2 family protein 0.0088 0.0969 0.1509
Schistosoma mansoni hypothetical protein 0.0021 0.0024 0.0007
Echinococcus multilocularis 6 phosphofructokinase 0.0116 0.1354 0.1339
Brugia malayi Muscle positioning protein 4 0.0021 0.0024 0.0011
Loa Loa (eye worm) pyruvate kinase 0.0036 0.0233 0.0369
Echinococcus multilocularis EGFP:Bcl2 fusion protein 0.0088 0.0969 0.0953
Echinococcus granulosus protein jagged 2 0.0021 0.0024 0.0007
Schistosoma mansoni notch 0.0021 0.0024 0.0007
Echinococcus granulosus neurogenic locus protein delta 0.0021 0.0024 0.0007
Entamoeba histolytica tyrosyl-DNA phosphodiesterase, putative 0.007 0.0719 0.1726
Mycobacterium tuberculosis Probable 6-phosphofructokinase PfkA (phosphohexokinase) (phosphofructokinase) 0.0116 0.1354 0.6408
Leishmania major trypanothione reductase 0.004 0.03 0.0672
Echinococcus granulosus neutral alpha glucosidase AB 0.0039 0.0275 0.0258
Trypanosoma cruzi mitochondrial DNA polymerase beta, putative 0.0322 0.4229 1
Onchocerca volvulus Chorion peroxidase homolog 0.0063 0.0624 0.0952
Entamoeba histolytica glycosyl hydrolase, family 31 protein 0.0039 0.0275 0.0634
Entamoeba histolytica fructose-1,6-bisphosphate aldolase, putative 0.0311 0.4084 1
Brugia malayi Delta serrate ligand family protein 0.0021 0.0024 0.0011
Trypanosoma brucei ATP-dependent DEAD/H DNA helicase recQ, putative 0.0033 0.0202 0.0438
Giardia lamblia Fructose-bisphosphate aldolase 0.0311 0.4084 1
Echinococcus granulosus 6 phosphofructokinase 0.0116 0.1354 0.1339
Schistosoma mansoni hypothetical protein 0.0022 0.0044 0.0027
Loa Loa (eye worm) hypothetical protein 0.0063 0.0624 0.0986
Loa Loa (eye worm) hypothetical protein 0.0021 0.0024 0.0037
Giardia lamblia Ubiquitin carboxyl-terminal hydrolase 4 0.0039 0.0287 0.0665
Trichomonas vaginalis alpha-glucosidase, putative 0.0039 0.0275 0.0634
Plasmodium falciparum ADP-dependent DNA helicase RecQ 0.0041 0.0311 1
Mycobacterium tuberculosis NADPH-dependent mycothiol reductase Mtr 0.004 0.03 0.1356
Loa Loa (eye worm) Notch2 0.0021 0.0024 0.0037
Trypanosoma cruzi squalene monooxygenase, putative 0.0266 0.3449 0.815
Loa Loa (eye worm) hypothetical protein 0.0021 0.0024 0.0037
Trichomonas vaginalis sucrase-isomaltase, putative 0.0039 0.0275 0.0634
Trichomonas vaginalis phosphofructokinase, putative 0.0116 0.1354 0.3287
Schistosoma mansoni lozenge 0.0059 0.0564 0.0548
Loa Loa (eye worm) runx1 0.0059 0.0564 0.0891
Brugia malayi Calcium binding EGF domain containing protein 0.0021 0.0024 0.0011
Entamoeba histolytica recQ family helicase, putative 0.0033 0.0202 0.0454
Schistosoma mansoni hypothetical protein 0.0088 0.0969 0.0953
Echinococcus granulosus notch 0.0021 0.0024 0.0007
Schistosoma mansoni alpha glucosidase 0.0039 0.0275 0.0258
Wolbachia endosymbiont of Brugia malayi exonuclease III 0.002 0.0017 0.5
Echinococcus granulosus neural cadherin 0.0021 0.0024 0.0007
Schistosoma mansoni apoptosis regulator bax 0.0088 0.0969 0.0953
Schistosoma mansoni hypothetical protein 0.0088 0.0969 0.0953
Brugia malayi Blistered cuticle protein 3 0.0063 0.0624 0.0962
Brugia malayi Animal haem peroxidase family protein 0.0063 0.0624 0.0962
Mycobacterium tuberculosis Putative ferredoxin reductase 0.0092 0.1021 0.4811
Echinococcus granulosus lysosomal alpha glucosidase 0.0174 0.216 0.2147
Schistosoma mansoni hypothetical protein 0.0021 0.0024 0.0007
Echinococcus multilocularis Bcl 2 ous antagonist:killer 0.0088 0.0969 0.0953
Echinococcus multilocularis Peptidase C19, ubiquitin carboxyl terminal hydrolase 2 0.0039 0.0287 0.0271
Loa Loa (eye worm) phosphofructokinase 0.0116 0.1354 0.2141
Loa Loa (eye worm) glutathione reductase 0.004 0.03 0.0474
Loa Loa (eye worm) hypothetical protein 0.0021 0.0024 0.0037
Onchocerca volvulus Dual oxidase homolog 0.0063 0.0624 0.0952
Schistosoma mansoni notch 0.0021 0.0024 0.0007
Echinococcus multilocularis ATP dependent DNA helicase Q5 0.003 0.0163 0.0146
Loa Loa (eye worm) hypothetical protein 0.0021 0.0024 0.0037
Leishmania major tyrosyl-DNA phosphodiesterase 1 0.007 0.0719 0.1667
Echinococcus multilocularis neurogenic locus protein delta 0.0021 0.0024 0.0007
Plasmodium falciparum ATP-dependent DNA helicase Q1 0.003 0.0163 0.497
Mycobacterium tuberculosis Probable oxidoreductase 0.0102 0.1164 0.5497
Schistosoma mansoni notch 0.0021 0.0024 0.0007
Brugia malayi jmjC domain containing protein 0.0063 0.0612 0.0943
Trichomonas vaginalis Clan CA, family C19, ubiquitin hydrolase-like cysteine peptidase 0.0039 0.0287 0.0665
Brugia malayi Peroxidasin 0.0063 0.0624 0.0962
Schistosoma mansoni hypothetical protein 0.0021 0.0024 0.0007
Entamoeba histolytica pyruvate kinase, putative 0.0025 0.0083 0.0163
Echinococcus granulosus bromodomain adjacent to zinc finger domain 0.0038 0.0272 0.0255
Mycobacterium ulcerans pyruvate kinase 0.0036 0.0233 0.1037
Echinococcus granulosus thioredoxin glutathione reductase 0.0041 0.0307 0.0291
Schistosoma mansoni hypothetical protein 0.0088 0.0969 0.0953
Loa Loa (eye worm) pyruvate kinase 0.0036 0.0233 0.0369
Echinococcus granulosus Bcl 2 ous antagonist:killer 0.0088 0.0969 0.0953
Loa Loa (eye worm) hypothetical protein 0.0021 0.0024 0.0037
Mycobacterium tuberculosis Probable membrane NADH dehydrogenase NdhA 0.0092 0.1021 0.4811
Schistosoma mansoni blooms syndrome DNA helicase 0.0028 0.0132 0.0116
Echinococcus multilocularis slit 2 protein 0.0021 0.0024 0.0007
Echinococcus granulosus slit 2 protein 0.0021 0.0024 0.0007
Brugia malayi notch-like transmembrane receptor 0.0021 0.0024 0.0011
Loa Loa (eye worm) hypothetical protein 0.0039 0.0287 0.0454
Loa Loa (eye worm) hypothetical protein 0.0021 0.0024 0.0037
Schistosoma mansoni peroxidasin 0.0063 0.0624 0.0608
Schistosoma mansoni hypothetical protein 0.0021 0.0024 0.0007
Loa Loa (eye worm) animal heme peroxidase 0.0063 0.0624 0.0986
Trichomonas vaginalis fructose-bisphosphate aldolase, putative 0.0311 0.4084 1
Plasmodium vivax 6-phosphofructokinase, putative 0.0031 0.0174 0.5551
Toxoplasma gondii thioredoxin reductase 0.004 0.03 0.6361
Schistosoma mansoni laminin gamma-3 chain 0.0021 0.0024 0.0007
Brugia malayi EGF-like domain containing protein 0.0021 0.0024 0.0011
Brugia malayi Animal haem peroxidase family protein 0.0063 0.0624 0.0962
Brugia malayi EGF-like domain containing protein 0.0021 0.0024 0.0011
Onchocerca volvulus 0.0063 0.0624 0.0952
Schistosoma mansoni 6-phosphofructokinase 0.0116 0.1354 0.1339
Schistosoma mansoni slit 0.0021 0.0024 0.0007
Brugia malayi Animal haem peroxidase family protein 0.0063 0.0624 0.0962
Brugia malayi Thioredoxin reductase 0.004 0.03 0.0448
Schistosoma mansoni hypothetical protein 0.0021 0.0024 0.0007
Echinococcus multilocularis pyruvate kinase 0.0036 0.0233 0.0217
Toxoplasma gondii EGF family domain-containing protein 0.0021 0.0024 0.0151
Schistosoma mansoni bcl-2 homologous antagonist/killer (bak) 0.0088 0.0969 0.0953
Echinococcus multilocularis muscleblind protein 0.0159 0.1959 0.1945
Echinococcus multilocularis protein jagged 1 0.0021 0.0024 0.0007
Echinococcus granulosus delta-like protein 1 0.0021 0.0024 0.0007
Loa Loa (eye worm) hypothetical protein 0.0088 0.0969 0.1532
Echinococcus multilocularis neurogenic locus protein delta 0.0021 0.0024 0.0007
Loa Loa (eye worm) hypothetical protein 0.0063 0.0624 0.0986
Trypanosoma cruzi tyrosyl-DNA Phosphodiesterase (Tdp1), putative 0.007 0.0719 0.1667
Schistosoma mansoni DNA helicase recq5 0.003 0.0163 0.0146
Mycobacterium leprae PROBABLE NADH DEHYDROGENASE NDH 0.0092 0.1021 0.4838
Echinococcus multilocularis notch 0.0021 0.0024 0.0007
Mycobacterium tuberculosis Probable fructose-bisphosphate aldolase Fba 0.0152 0.1861 0.8838
Loa Loa (eye worm) hypothetical protein 0.0021 0.0024 0.0037
Plasmodium falciparum pyruvate kinase 0.0036 0.0233 0.7365
Trichomonas vaginalis phosphofructokinase, putative 0.0031 0.0174 0.0386
Giardia lamblia Pyruvate kinase 0.0036 0.0233 0.0532
Loa Loa (eye worm) hypothetical protein 0.0063 0.0624 0.0986
Schistosoma mansoni tyrosyl-DNA phosphodiesterase 0.007 0.0719 0.0703
Mycobacterium ulcerans hypothetical protein 0.0169 0.2103 1
Trypanosoma cruzi pyruvate kinase 2, putative 0.0036 0.0233 0.0514
Loa Loa (eye worm) hypothetical protein 0.0025 0.0083 0.0132
Echinococcus multilocularis bromodomain adjacent to zinc finger domain 0.0038 0.0272 0.0255
Treponema pallidum diphosphate--fructose-6-phosphate 1-phosphotransferase 0.0116 0.1354 0.3287
Trichomonas vaginalis phosphofructokinase, putative 0.0116 0.1354 0.3287
Echinococcus granulosus protein jagged 1 0.0021 0.0024 0.0007
Loa Loa (eye worm) glycosyl hydrolase family 31 protein 0.0039 0.0275 0.0435
Leishmania major mitochondrial DNA polymerase beta 0.0322 0.4229 1
Entamoeba histolytica fructose-1,6-bisphosphate aldolase, putative 0.0311 0.4084 1
Entamoeba histolytica ubiquitin carboxyl-terminal hydrolase domain containing protein 0.0039 0.0287 0.0665
Brugia malayi Bromodomain containing protein 0.0041 0.0307 0.046
Brugia malayi 6-phosphofructokinase 0.0116 0.1354 0.2119
Schistosoma mansoni zinc finger protein 0.0021 0.0028 0.0011
Schistosoma mansoni ubiquitin-specific peptidase 8 (C19 family) 0.0039 0.0287 0.0271
Loa Loa (eye worm) hypothetical protein 0.0021 0.0024 0.0037
Trypanosoma brucei ubiquitin carboxyl-terminal hydrolase, putative 0.0039 0.0287 0.0642
Loa Loa (eye worm) blistered cuticle protein 3 0.0063 0.0624 0.0986
Loa Loa (eye worm) 6-phosphofructokinase 0.0116 0.1354 0.2141
Trypanosoma cruzi ATP-dependent 6-phosphofructokinase, glycosomal 0.0116 0.1354 0.3174
Entamoeba histolytica phosphofructokinase, putative 0.0116 0.1354 0.3287
Trypanosoma cruzi hypothetical protein, conserved 0.0039 0.0275 0.0612
Brugia malayi hypothetical protein 0.0472 0.6324 1
Brugia malayi EGF-like domain containing protein 0.0021 0.0024 0.0011
Trichomonas vaginalis phosphofructokinase, putative 0.0031 0.0174 0.0386
Brugia malayi Animal haem peroxidase family protein 0.0063 0.0624 0.0962
Trichomonas vaginalis pyruvate kinase, putative 0.0036 0.0233 0.0532
Trichomonas vaginalis phosphofructokinase, putative 0.0031 0.0174 0.0386
Brugia malayi 6-phosphofructokinase 0.0116 0.1354 0.2119
Trichomonas vaginalis fructose-bisphosphate aldolase, putative 0.0311 0.4084 1
Loa Loa (eye worm) hypothetical protein 0.0063 0.0624 0.0986
Leishmania major mitochondrial DNA polymerase beta-PAK, putative 0.0152 0.1863 0.4383
Trichomonas vaginalis maltase-glucoamylase, putative 0.0039 0.0275 0.0634
Echinococcus granulosus muscleblind protein 0.0159 0.1959 0.1945
Schistosoma mansoni DNA helicase recq1 0.003 0.0163 0.0146
Schistosoma mansoni 6-phosphofructokinase 0.0116 0.1354 0.1339
Leishmania major ATP-dependent phosphofructokinase 0.0116 0.1354 0.3174
Trypanosoma cruzi mitochondrial DNA polymerase beta-PAK, putative 0.0045 0.0369 0.0835
Schistosoma mansoni alpha-glucosidase 0.0149 0.1823 0.1809
Trypanosoma cruzi ATP-dependent DEAD/H DNA helicase recQ, putative 0.0033 0.0202 0.0438
Loa Loa (eye worm) hypothetical protein 0.0063 0.0624 0.0986
Trichomonas vaginalis fructose-bisphosphate aldolase, putative 0.0311 0.4084 1
Trichomonas vaginalis conserved hypothetical protein 0.0039 0.0287 0.0665
Loa Loa (eye worm) hypothetical protein 0.0021 0.0024 0.0037
Brugia malayi GCC2 and GCC3 family protein 0.0021 0.0024 0.0011
Plasmodium falciparum glutathione reductase 0.004 0.03 0.9626
Loa Loa (eye worm) hypothetical protein 0.0075 0.0789 0.1248
Loa Loa (eye worm) hypothetical protein 0.0021 0.0024 0.0037
Loa Loa (eye worm) hypothetical protein 0.0021 0.0024 0.0037
Schistosoma mansoni ubiquitin-specific peptidase 2 (C19 family) 0.0039 0.0287 0.0271
Loa Loa (eye worm) pyruvate kinase-PB 0.0025 0.0083 0.0132
Loa Loa (eye worm) glycosyl hydrolase family 31 protein 0.0174 0.216 0.3416
Loa Loa (eye worm) RecQ helicase 0.0044 0.0349 0.0552
Echinococcus granulosus neurogenic locus notch protein 0.0021 0.0024 0.0007
Loa Loa (eye worm) hypothetical protein 0.0021 0.0024 0.0037
Giardia lamblia Pyrophosphate-fructose 6-phosphate 1-phosphotransferase alpha subunit 0.0031 0.0174 0.0386
Trypanosoma cruzi tyrosyl-DNA Phosphodiesterase (Tdp1), putative 0.007 0.0719 0.1667
Loa Loa (eye worm) hypothetical protein 0.0021 0.0024 0.0037
Schistosoma mansoni Pro-neuregulin-4 membrane-bound isoform (Pro-NRG4) [Contains: Neuregulin-4 (NRG-4)] 0.0021 0.0024 0.0007
Trichomonas vaginalis pyruvate kinase, putative 0.0036 0.0233 0.0532
Loa Loa (eye worm) notch protein 0.0021 0.0024 0.0037
Loa Loa (eye worm) hypothetical protein 0.0159 0.1959 0.3097
Brugia malayi Glycosyl hydrolases family 31 protein 0.0039 0.0275 0.0409
Loa Loa (eye worm) pyruvate kinase 0.0036 0.0233 0.0369
Mycobacterium tuberculosis Probable pyruvate kinase PykA 0.0036 0.0233 0.1037
Brugia malayi Pyruvate kinase, M2 isozyme 0.0036 0.0233 0.0343
Trypanosoma cruzi mitochondrial DNA polymerase beta, putative 0.0322 0.4229 1
Echinococcus multilocularis neural cadherin 0.0021 0.0024 0.0007
Trypanosoma brucei tyrosyl-DNA Phosphodiesterase (Tdp1), putative 0.007 0.0719 0.1667
Giardia lamblia Sgs1 DNA helicase, putative 0.003 0.0163 0.0359
Loa Loa (eye worm) hypothetical protein 0.003 0.0163 0.0258
Onchocerca volvulus Peroxidase homolog 0.0063 0.0624 0.0952
Toxoplasma gondii hypothetical protein 0.0052 0.0462 1
Treponema pallidum fructose-bisphosphate aldolase 0.0311 0.4084 1
Leishmania major pyruvate kinase 0.0036 0.0233 0.0514
Onchocerca volvulus 0.0472 0.6324 1
Loa Loa (eye worm) 6-phosphofructokinase 0.0116 0.1354 0.2141
Trypanosoma brucei mitochondrial DNA polymerase beta 0.0322 0.4229 1
Schistosoma mansoni pyruvate kinase 0.0036 0.0233 0.0217
Echinococcus multilocularis microtubule associated protein 2 0.0735 1 1
Trichomonas vaginalis DNA helicase recq, putative 0.0033 0.0202 0.0454
Loa Loa (eye worm) PHD-finger family protein 0.0022 0.0044 0.007
Trichomonas vaginalis alpha-glucosidase, putative 0.0039 0.0275 0.0634
Echinococcus granulosus protein jagged 1 0.0021 0.0024 0.0007
Brugia malayi Glycosyl hydrolases family 31 protein 0.0174 0.216 0.3398
Onchocerca volvulus Peroxidasin homolog 0.0063 0.0624 0.0952
Echinococcus granulosus fibropellin Ia 0.0021 0.0024 0.0007
Mycobacterium ulcerans fructose-bisphosphate aldolase 0.0152 0.1861 0.8838
Brugia malayi Calcium binding EGF domain containing protein 0.0021 0.0024 0.0011
Loa Loa (eye worm) hypothetical protein 0.0472 0.6324 1
Echinococcus granulosus neurogenic locus notch protein 0.0021 0.0024 0.0007
Trypanosoma cruzi squalene monooxygenase, putative 0.0266 0.3449 0.815
Echinococcus multilocularis muscleblind protein 1 0.0159 0.1959 0.1945
Loa Loa (eye worm) apoptosis regulator protein 0.0088 0.0969 0.1532
Loa Loa (eye worm) hypothetical protein 0.0472 0.6324 1
Trypanosoma brucei mitochondrial DNA polymerase beta-PAK 0.0152 0.1863 0.4383
Brugia malayi Muscleblind-like protein 0.0159 0.1959 0.3079
Loa Loa (eye worm) hypothetical protein 0.0021 0.0024 0.0037
Echinococcus granulosus Peptidase C19 ubiquitin carboxyl terminal hydrolase 2 0.0039 0.0287 0.0271
Echinococcus multilocularis neurogenic locus notch protein 0.0021 0.0024 0.0007
Echinococcus multilocularis lysosomal alpha glucosidase 0.0174 0.216 0.2147
Loa Loa (eye worm) hypothetical protein 0.0036 0.0233 0.0369
Loa Loa (eye worm) hypothetical protein 0.0021 0.0024 0.0037
Echinococcus multilocularis fetal alzheimer antigen, falz 0.0024 0.0073 0.0056
Trypanosoma brucei DNA polymerase beta thumb, putative 0.0045 0.0369 0.0835
Trypanosoma brucei pyruvate kinase 1, putative 0.0036 0.0233 0.0514
Loa Loa (eye worm) hypothetical protein 0.0063 0.0624 0.0986
Echinococcus granulosus EGFP:Bcl2 fusion protein 0.0088 0.0969 0.0953
Mycobacterium tuberculosis Probable nitrite reductase [NAD(P)H] large subunit [FAD flavoprotein] NirB 0.0092 0.1021 0.4811
Trypanosoma brucei pyruvate kinase 1 0.0036 0.0233 0.0514
Trichomonas vaginalis phosphofructokinase, putative 0.0031 0.0174 0.0386
Leishmania major ATP-dependent DEAD/H DNA helicase recQ, putative 0.0033 0.0202 0.0438
Echinococcus granulosus pyruvate kinase 0.0036 0.0233 0.0217
Trichomonas vaginalis phosphofructokinase, putative 0.0031 0.0174 0.0386
Trichomonas vaginalis alpha-glucosidase, putative 0.0039 0.0275 0.0634
Toxoplasma gondii ATP-dependent DNA helicase, RecQ family protein 0.003 0.0163 0.3284
Echinococcus granulosus fetal alzheimer antigen falz 0.0024 0.0073 0.0056
Loa Loa (eye worm) animal heme peroxidase 0.0063 0.0624 0.0986
Echinococcus granulosus bloom syndrome protein 0.0044 0.0349 0.0333
Onchocerca volvulus Peroxidase homolog 0.0063 0.0624 0.0952
Echinococcus multilocularis zinc finger protein 0.0021 0.0028 0.0011
Entamoeba histolytica glycosyl hydrolase, family 31 protein 0.0039 0.0275 0.0634
Trypanosoma cruzi pyruvate kinase 2, putative 0.0036 0.0233 0.0514
Schistosoma mansoni hypothetical protein 0.0021 0.0024 0.0007
Plasmodium vivax thioredoxin reductase, putative 0.004 0.03 1
Trypanosoma cruzi hypothetical protein, conserved 0.0039 0.0275 0.0612
Echinococcus multilocularis pyruvate kinase 0.0036 0.0233 0.0217

Activities

Activity type Activity value Assay description Source Reference
-Log IC50 (binding) = 1.05 Inhibitory activity against prostaglandin G/H synthase 2 (COX-2) ChEMBL. 12383010
IC50 (binding) = 1.05 Inhibitory activity against prostaglandin G/H synthase 2 (COX-2) ChEMBL. 12383010
IC50 (binding) = 7.05 Inhibition of human Prostaglandin G/H synthase 2 ChEMBL. 11563921
IC50 (binding) = 0.09 uM Concentration required to inhibit human Prostaglandin G/H synthase 2 (COX-2) by 50% ChEMBL. 9171873
IC50 (binding) = 0.09 uM Concentration required to inhibit human Prostaglandin G/H synthase 2 (COX-2) by 50% ChEMBL. 9171873
IC50 (binding) = 7.84 uM Concentration required to inhibit human prostaglandin G/H synthase 1 (COX-1) by 50% ChEMBL. 9171873
IC50 (binding) = 7.84 uM Concentration required to inhibit human prostaglandin G/H synthase 1 (COX-1) by 50% ChEMBL. 9171873
Inhibition (functional) = 64 % In vivo inhibition of prostaglandin production at screening dosage of 2 mpk in carrageenan - induced air pouch model in rat ChEMBL. 9171873
Log IC50 (binding) = 7.05 Inhibition of human Prostaglandin G/H synthase 2 ChEMBL. 11563921
Ratio (binding) = 87 IC50 ratio measured as the IC50 of COX-1 to that of COX-2 ChEMBL. 9171873
Ratio (binding) = 87 IC50 ratio measured as the IC50 of COX-1 to that of COX-2 ChEMBL. 9171873

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

3 literature references were collected for this gene.

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