Detailed information for compound 419646

Basic information

Technical information
  • TDR Targets ID: 419646
  • Name: N-[3-(2,4-dichlorophenoxy)pyridin-4-yl]-1,1,1 -trifluoromethanesulfonamide
  • MW: 387.162 | Formula: C12H7Cl2F3N2O3S
  • H donors: 1 H acceptors: 3 LogP: 3.81 Rotable bonds: 5
    Rule of 5 violations (Lipinski): 1
  • SMILES: Clc1ccc(c(c1)Cl)Oc1cnccc1NS(=O)(=O)C(F)(F)F
  • InChi: 1S/C12H7Cl2F3N2O3S/c13-7-1-2-10(8(14)5-7)22-11-6-18-4-3-9(11)19-23(20,21)12(15,16)17/h1-6H,(H,18,19)
  • InChiKey: KJCDNRSCHQWHKE-UHFFFAOYSA-N  


Substructure search Similarity search

Network

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Synonyms

  • N-[3-(2,4-dichlorophenoxy)-4-pyridyl]-1,1,1-trifluoro-methanesulfonamide
  • N-[3-(2,4-dichlorophenoxy)-4-pyridyl]-1,1,1-trifluoromethanesulfonamide
  • N-[3-(2,4-dichlorophenoxy)pyridin-4-yl]-1,1,1-trifluoro-methanesulfonamide

Targets

Known targets for this compound

Species Target name Source Bibliographic reference
Homo sapiens prostaglandin-endoperoxide synthase 1 (prostaglandin G/H synthase and cyclooxygenase) Starlite/ChEMBL References
Homo sapiens prostaglandin-endoperoxide synthase 2 (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 Chorion peroxidase homolog 0.0063 0.0594 0.2047
Schistosoma mansoni notch 0.0021 0.0093 0.012
Schistosoma mansoni dopamine-beta-monooxygenase 0.0488 0.5551 1
Brugia malayi Delta serrate ligand family protein 0.0021 0.0093 0.0319
Mycobacterium ulcerans cytochrome P450 191A3 Cyp191A3 0.0029 0.0195 1
Onchocerca volvulus Peroxidase homolog 0.0063 0.0594 0.2047
Trypanosoma cruzi Lanosterol 14-alpha demethylase 0.0029 0.0195 1
Brugia malayi PHD-finger family protein 0.0028 0.0183 0.0636
Echinococcus granulosus cytochrome P450 2K1 0.0029 0.0195 0.0681
Onchocerca volvulus 0.0028 0.0178 0.035
Brugia malayi DOMON domain containing protein 0.0049 0.0429 0.1496
Loa Loa (eye worm) hypothetical protein 0.0021 0.0093 0.0319
Brugia malayi EGF-like domain containing protein 0.0021 0.0093 0.0319
Mycobacterium ulcerans cytochrome P450 143A4 Cyp143A4 0.0029 0.0195 1
Mycobacterium tuberculosis Possible cytochrome P450 126 Cyp126 0.0029 0.0195 1
Echinococcus multilocularis neural cadherin 0.0021 0.0093 0.0324
Trichomonas vaginalis ap endonuclease, putative 0.0018 0.0066 0.0033
Schistosoma mansoni ataxia telangiectasia mutated (atm) 0.0024 0.0135 0.0196
Toxoplasma gondii EGF family domain-containing protein 0.0021 0.0093 0.0035
Echinococcus granulosus zinc finger protein 0.0021 0.0093 0.0327
Leishmania major cytochrome p450-like protein 0.0029 0.0195 1
Loa Loa (eye worm) hypothetical protein 0.0063 0.0594 0.2071
Leishmania major cytochrome p450-like protein 0.0029 0.0195 1
Brugia malayi Cadherin domain containing protein 0.0021 0.0093 0.0319
Toxoplasma gondii histone lysine methyltransferase SET/SUV39 0.003 0.0198 0.0141
Echinococcus granulosus DNA apurinic or apyrimidinic site lyase 0.0018 0.0066 0.0231
Echinococcus multilocularis fibropellin Ia 0.0021 0.0093 0.0324
Toxoplasma gondii PHD-finger domain-containing protein 0.0028 0.0183 0.0126
Echinococcus granulosus neural cadherin 0.0021 0.0093 0.0324
Schistosoma mansoni histone-lysine n-methyltransferase setb1 0.003 0.0198 0.0311
Echinococcus granulosus delta-like protein 1 0.0021 0.0093 0.0324
Plasmodium vivax hypothetical protein, conserved 0.0028 0.0183 0.8865
Mycobacterium tuberculosis Cytochrome P450 121 Cyp121 0.0029 0.0195 1
Brugia malayi Cadherin domain containing protein 0.0021 0.0093 0.0319
Trypanosoma cruzi phosphatidylinositol 3-related kinase, putative 0.0018 0.0058 0.1874
Echinococcus granulosus phosphatidylinositol 3 and 4 kinase 0.0018 0.0058 0.0203
Echinococcus granulosus neurogenic locus notch protein 0.0021 0.0093 0.0324
Schistosoma mansoni peroxidasin 0.0063 0.0594 0.1027
Mycobacterium ulcerans cytochrome P450 124A1, Cyp124A1 0.0029 0.0195 1
Echinococcus granulosus lysine specific demethylase 5A 0.0038 0.0293 0.1023
Schistosoma mansoni zinc finger protein 0.0021 0.0093 0.0121
Leishmania major target of rapamycin (TOR) kinase 2, putative 0.0018 0.0058 0.1874
Loa Loa (eye worm) hypothetical protein 0.0063 0.0594 0.2071
Echinococcus granulosus peptidyl glycine alpha amidating monooxygenase 0.0258 0.2862 1
Schistosoma mansoni notch 0.0021 0.0093 0.012
Echinococcus granulosus neurogenic locus notch protein 4 0.0021 0.0093 0.0324
Brugia malayi CXXC zinc finger family protein 0.0028 0.0178 0.0619
Mycobacterium tuberculosis Probable cytochrome P450 124 Cyp124 0.0029 0.0195 1
Brugia malayi EGF-like domain containing protein 0.0021 0.0093 0.0319
Onchocerca volvulus Neurogenic locus notch protein homolog 0.0021 0.0093 0.00000005779
Mycobacterium ulcerans cytochrome P450 187A4 Cyp187A4 0.0029 0.0195 1
Brugia malayi cytochrome P450 0.0029 0.0195 0.0676
Mycobacterium ulcerans cytochrome P450 105Q4 Cyp105Q4 0.0029 0.0195 1
Echinococcus granulosus bromodomain adjacent to zinc finger domain 0.0035 0.026 0.0909
Schistosoma mansoni hypothetical protein 0.002 0.0087 0.0109
Brugia malayi EGF-like domain containing protein 0.0021 0.0093 0.0319
Trypanosoma brucei phosphatidylinositol 3-related kinase, putative 0.0018 0.0058 0.1874
Schistosoma mansoni septate junction protein 0.0021 0.0093 0.012
Echinococcus multilocularis neurogenic locus notch protein 4 0.0021 0.0093 0.0324
Schistosoma mansoni Pro-neuregulin-4 membrane-bound isoform (Pro-NRG4) [Contains: Neuregulin-4 (NRG-4)] 0.0021 0.0093 0.012
Brugia malayi GCC2 and GCC3 family protein 0.0021 0.0093 0.0319
Loa Loa (eye worm) hypothetical protein 0.0028 0.0183 0.0636
Echinococcus granulosus bromodomain adjacent to zinc finger domain 0.006 0.0548 0.1913
Mycobacterium leprae putative cytochrome p450 0.0029 0.0195 0.5
Loa Loa (eye worm) hypothetical protein 0.0069 0.0654 0.2281
Mycobacterium tuberculosis Probable cytochrome P450 143 Cyp143 0.0029 0.0195 1
Brugia malayi DOMON domain containing protein 0.0049 0.0429 0.1496
Loa Loa (eye worm) hypothetical protein 0.0063 0.0594 0.2071
Onchocerca volvulus 0.0049 0.0429 0.1375
Echinococcus multilocularis neurogenic locus protein delta 0.0021 0.0093 0.0324
Schistosoma mansoni histone-lysine n-methyltransferase setb1 0.0046 0.0391 0.0661
Brugia malayi Cytochrome P450 family protein 0.0029 0.0195 0.0676
Brugia malayi Cytochrome P450 family protein 0.0029 0.0195 0.0676
Schistosoma mansoni cpg binding protein 0.0031 0.0219 0.0348
Trichomonas vaginalis PIKK family atypical protein kinase 0.0024 0.0135 0.0308
Loa Loa (eye worm) jmjC domain-containing protein 0.0038 0.0293 0.1019
Brugia malayi Copper type II ascorbate-dependent monooxygenase, C-terminal domain containing protein 0.0258 0.2862 1
Echinococcus granulosus Transcription factor JmjC domain containing protein 0.0093 0.0934 0.3264
Echinococcus multilocularis bromodomain adjacent to zinc finger domain 0.0035 0.026 0.0909
Mycobacterium ulcerans cytochrome p450 150 cyp150 0.0029 0.0195 1
Loa Loa (eye worm) animal heme peroxidase 0.0063 0.0594 0.2071
Echinococcus multilocularis histone lysine N methyltransferase SETMAR 0.003 0.0198 0.0693
Schistosoma mansoni jumonji domain containing protein 0.0074 0.0712 0.1241
Leishmania major phosphatidylinositol 3-kinase, putative 0.0018 0.0058 0.1874
Schistosoma mansoni cpg binding protein 0.0028 0.0178 0.0275
Mycobacterium tuberculosis Probable cytochrome P450 123 Cyp123 0.0029 0.0195 1
Plasmodium falciparum phd finger protein, putative 0.0028 0.0183 1
Loa Loa (eye worm) phosphatidylinositol 3 0.0018 0.0058 0.0198
Loa Loa (eye worm) notch protein 0.0021 0.0093 0.0319
Toxoplasma gondii PHD-finger domain-containing protein 0.0028 0.0183 0.0126
Loa Loa (eye worm) hypothetical protein 0.0063 0.0594 0.2071
Echinococcus multilocularis protein jagged 1 0.0021 0.0093 0.0324
Echinococcus granulosus slit 2 protein 0.0021 0.0093 0.0324
Brugia malayi notch-like transmembrane receptor 0.0021 0.0093 0.0319
Schistosoma mansoni peptidylglycine monooxygenase 0.0258 0.2862 0.5134
Onchocerca volvulus 0.0063 0.0594 0.2047
Onchocerca volvulus Alhambra homolog 0.0028 0.0183 0.037
Toxoplasma gondii FATC domain-containing protein 0.0024 0.0135 0.0077
Loa Loa (eye worm) DOMON domain-containing protein 0.0049 0.0429 0.1496
Echinococcus granulosus protein jagged 1 0.0021 0.0093 0.0324
Onchocerca volvulus 0.0049 0.0429 0.1375
Loa Loa (eye worm) hypothetical protein 0.0021 0.0093 0.0319
Brugia malayi EGF-like domain containing protein 0.0021 0.0093 0.0319
Brugia malayi F/Y-rich N-terminus family protein 0.0021 0.0095 0.0326
Brugia malayi Copper type II ascorbate-dependent monooxygenase, N-terminal domain containing protein 0.0131 0.138 0.482
Schistosoma mansoni notch 0.0021 0.0093 0.012
Echinococcus multilocularis PHD finger protein rhinoceros 0.0028 0.0183 0.0641
Echinococcus granulosus methyl CpG binding domain protein 2 0.0017 0.0046 0.0162
Brugia malayi Cytochrome P450 family protein 0.0029 0.0195 0.0676
Echinococcus granulosus protein jagged 1 0.0021 0.0093 0.0324
Loa Loa (eye worm) hypothetical protein 0.0021 0.0093 0.0319
Brugia malayi EGF-like domain containing protein 0.0021 0.0093 0.0319
Brugia malayi Bromodomain containing protein 0.0037 0.0287 0.0998
Brugia malayi Phosphatidylinositol 3- and 4-kinase family protein 0.0018 0.0058 0.0198
Echinococcus multilocularis FKBP12 rapamycin complex associated protein 0.0018 0.0058 0.0203
Echinococcus multilocularis peptidyl glycine alpha amidating monooxygenase 0.0258 0.2862 1
Onchocerca volvulus 0.0063 0.0594 0.2047
Brugia malayi Calcium binding EGF domain containing protein 0.0021 0.0093 0.0319
Schistosoma mansoni cpg binding protein 0.0031 0.0219 0.0348
Mycobacterium ulcerans cytochrome P450 188A3 Cyp188A3 0.0029 0.0195 1
Echinococcus multilocularis DNA (apurinic or apyrimidinic site) lyase 0.0018 0.0066 0.0231
Brugia malayi Copper type II ascorbate-dependent monooxygenase, C-terminal domain containing protein 0.0127 0.1335 0.4663
Loa Loa (eye worm) animal heme peroxidase 0.0063 0.0594 0.2071
Loa Loa (eye worm) hypothetical protein 0.0063 0.0594 0.2071
Loa Loa (eye worm) CXXC zinc finger family protein 0.0028 0.0178 0.0619
Echinococcus granulosus fibropellin Ia 0.0021 0.0093 0.0324
Echinococcus multilocularis Transcription factor, JmjC domain containing protein 0.0093 0.0934 0.3264
Onchocerca volvulus 0.003 0.0198 0.0432
Mycobacterium ulcerans cytochrome P450 125A7 Cyp125A7 0.0029 0.0195 1
Trypanosoma cruzi phosphatidylinositol kinase related protein, putative 0.0018 0.0058 0.1898
Loa Loa (eye worm) hypothetical protein 0.0063 0.0594 0.2071
Loa Loa (eye worm) hypothetical protein 0.0021 0.0093 0.0319
Mycobacterium ulcerans cytochrome P450 185A4 Cyp185A4 0.0029 0.0195 1
Trypanosoma brucei apurinic/apyrimidinic endonuclease, putative 0.0018 0.0066 0.236
Brugia malayi Pre-SET motif family protein 0.003 0.0198 0.0689
Loa Loa (eye worm) cytochrome P450 family protein 0.0029 0.0195 0.0676
Leishmania major lanosterol 14-alpha-demethylase, putative 0.0029 0.0195 1
Schistosoma mansoni hypothetical protein 0.0021 0.0093 0.012
Brugia malayi jmjC domain containing protein 0.0038 0.0293 0.1019
Echinococcus multilocularis fat cadherin tumor suppressor 0.0021 0.0093 0.0324
Wolbachia endosymbiont of Brugia malayi exonuclease III 0.0018 0.0066 0.5
Entamoeba histolytica hypothetical protein 0.0024 0.0135 1
Brugia malayi Muscle positioning protein 4 0.0021 0.0093 0.0319
Trypanosoma cruzi Phosphatidylinositol 3-kinase tor1 0.0018 0.0058 0.1874
Echinococcus multilocularis lysine specific demethylase 5A 0.0034 0.0253 0.0883
Loa Loa (eye worm) hypothetical protein 0.0063 0.0594 0.2071
Loa Loa (eye worm) hypothetical protein 0.0021 0.0093 0.0319
Loa Loa (eye worm) hypothetical protein 0.0021 0.0093 0.0319
Schistosoma mansoni peptidyl-glycine monooxygenase 0.0258 0.2862 0.5134
Brugia malayi Phosphatidylinositol 3- and 4-kinase family protein 0.0024 0.0135 0.0465
Onchocerca volvulus Dual oxidase homolog 0.0063 0.0594 0.2047
Toxoplasma gondii exonuclease III APE 0.0018 0.0066 0.0008
Loa Loa (eye worm) bromodomain containing protein 0.0017 0.0053 0.0182
Giardia lamblia High cysteine protein 0.0021 0.0093 0.2759
Echinococcus granulosus notch 0.0021 0.0093 0.0324
Loa Loa (eye worm) hypothetical protein 0.0021 0.0093 0.0319
Brugia malayi Animal haem peroxidase family protein 0.0063 0.0594 0.2071
Schistosoma mansoni hypothetical protein 0.0021 0.0093 0.012
Onchocerca volvulus Peroxidasin homolog 0.0063 0.0594 0.2047
Loa Loa (eye worm) hypothetical protein 0.0021 0.0093 0.0319
Loa Loa (eye worm) hypothetical protein 0.0063 0.0594 0.2071
Leishmania major apurinic/apyrimidinic endonuclease-redox protein 0.0018 0.0066 0.236
Loa Loa (eye worm) exodeoxyribonuclease III family protein 0.0018 0.0066 0.0227
Trichomonas vaginalis set domain proteins, putative 0.023 0.2542 1
Brugia malayi Animal haem peroxidase family protein 0.0063 0.0594 0.2071
Schistosoma mansoni mixed-lineage leukemia protein mll 0.006 0.0555 0.0957
Schistosoma mansoni hypothetical protein 0.0021 0.0093 0.012
Trypanosoma cruzi cytochrome P450, putative 0.0029 0.0195 1
Loa Loa (eye worm) cytochrome P450 family protein 0.0029 0.0195 0.0676
Loa Loa (eye worm) hypothetical protein 0.0037 0.0288 0.1001
Mycobacterium tuberculosis Probable cytochrome P450 144 Cyp144 0.0029 0.0195 1
Schistosoma mansoni jumonji/arid domain-containing protein 0.0038 0.0293 0.0482
Leishmania major phosphatidylinositol 3-related kinase, putative 0.0018 0.0058 0.1874
Echinococcus multilocularis bromodomain adjacent to zinc finger domain 0.006 0.0548 0.1913
Echinococcus multilocularis peregrin 0.0031 0.021 0.0734
Echinococcus granulosus serine protein kinase ATM 0.0024 0.0135 0.047
Loa Loa (eye worm) hypothetical protein 0.0021 0.0093 0.0319
Leishmania major target of rapamycin kinase (TOR) kinase 3 0.0018 0.0058 0.1874
Loa Loa (eye worm) hypothetical protein 0.0258 0.2862 1
Schistosoma mansoni slit 0.0021 0.0093 0.012
Brugia malayi Copper type II ascorbate-dependent monooxygenase, C-terminal domain containing protein 0.0258 0.2862 1
Schistosoma mansoni cell polarity protein 0.0021 0.0093 0.012
Trypanosoma cruzi Phosphatidylinositol 3-kinase tor2 0.0018 0.0058 0.1874
Trypanosoma cruzi cytochrome p450-like protein, putative 0.0029 0.0195 1
Trypanosoma brucei phosphatidylinositol 3-kinase, putative 0.0018 0.0058 0.1874
Onchocerca volvulus 0.023 0.2542 1
Loa Loa (eye worm) cytochrome P450 0.0029 0.0195 0.0676
Echinococcus multilocularis methyl CpG binding domain protein 2 0.0017 0.0046 0.0162
Schistosoma mansoni ap endonuclease 0.0018 0.0066 0.0072
Trypanosoma brucei cytochrome P450, putative 0.0029 0.0195 1
Loa Loa (eye worm) animal heme peroxidase 0.0063 0.0594 0.2071
Schistosoma mansoni hypothetical protein 0.0021 0.0093 0.012
Mycobacterium ulcerans cytochrome P450 150A6 Cyp150A6 0.0029 0.0195 1
Brugia malayi Animal haem peroxidase family protein 0.0063 0.0594 0.2071
Trypanosoma brucei phosphatidylinositol kinase related protein, putative 0.0024 0.0135 0.6418
Onchocerca volvulus Peroxidasin homolog 0.0063 0.0594 0.2047
Loa Loa (eye worm) CYP4Cod1 0.0029 0.0195 0.0676
Loa Loa (eye worm) hypothetical protein 0.0021 0.0093 0.0319
Schistosoma mansoni histone-lysine n-methyltransferase suv9 0.003 0.0198 0.0311
Toxoplasma gondii histone lysine methyltransferase SET1 0.0056 0.0508 0.0453
Loa Loa (eye worm) animal heme peroxidase 0.0063 0.0594 0.2071
Mycobacterium leprae Conserved hypothetical protein 0.0029 0.0195 0.5
Mycobacterium tuberculosis Cytochrome P450 51 Cyp51 (CYPL1) (P450-L1A1) (sterol 14-alpha demethylase) (lanosterol 14-alpha demethylase) (P450-14DM) 0.0029 0.0195 1
Echinococcus granulosus fetal alzheimer antigen falz 0.0023 0.0127 0.0444
Schistosoma mansoni mixed-lineage leukemia protein mll 0.0017 0.0054 0.005
Loa Loa (eye worm) hypothetical protein 0.0063 0.0594 0.2071
Brugia malayi Calcium binding EGF domain containing protein 0.0021 0.0093 0.0319
Loa Loa (eye worm) hypothetical protein 0.0021 0.0093 0.0319
Echinococcus granulosus peregrin 0.0031 0.021 0.0734
Brugia malayi Bromodomain containing protein 0.0074 0.0721 0.2515
Entamoeba histolytica exodeoxyribonuclease III, putative 0.0018 0.0066 0.1068
Loa Loa (eye worm) hypothetical protein 0.0063 0.0594 0.2071
Trypanosoma cruzi target of rapamycin kinase 3 0.0018 0.0058 0.1874
Loa Loa (eye worm) PHD-finger family protein 0.002 0.0087 0.0299
Brugia malayi exodeoxyribonuclease III family protein 0.0018 0.0066 0.0227
Onchocerca volvulus Neurogenic locus notch homolog 0.0021 0.0093 0.00000005779
Schistosoma mansoni methyl-cpg binding protein mbd 0.0017 0.0046 0.0036
Schistosoma mansoni hypothetical protein 0.0028 0.0183 0.0284
Mycobacterium ulcerans cytochrome P450 189A7 Cyp189A7 0.0029 0.0195 1
Trichomonas vaginalis ap endonuclease, putative 0.0018 0.0066 0.0033
Trypanosoma cruzi phosphatidylinositol 3-related kinase, putative 0.0018 0.0058 0.1874
Brugia malayi EGF-like domain containing protein 0.0021 0.0093 0.0319
Echinococcus multilocularis fetal alzheimer antigen, falz 0.0023 0.0127 0.0444
Mycobacterium ulcerans cytochrome P450 144A4 Cyp144A4 0.0029 0.0195 1
Brugia malayi jmjC domain containing protein 0.0093 0.0934 0.3261
Echinococcus granulosus histone lysine methyltransferase setb 0.0046 0.0391 0.1367
Loa Loa (eye worm) jmjC domain-containing protein 0.0058 0.0535 0.1864
Mycobacterium tuberculosis Possible cytochrome P450 135B1 Cyp135B1 0.0029 0.0195 1
Mycobacterium tuberculosis Probable cytochrome P450 141 Cyp141 0.0029 0.0195 1
Schistosoma mansoni bromodomain containing protein 0.0063 0.0588 0.1017
Brugia malayi EGF-like domain containing protein 0.0021 0.0093 0.0319
Loa Loa (eye worm) hypothetical protein 0.0021 0.0093 0.0319
Brugia malayi DOMON domain containing protein 0.0049 0.0429 0.1496
Schistosoma mansoni hypothetical protein 0.0021 0.0093 0.012
Schistosoma mansoni peroxidasin 0.0063 0.0594 0.1027
Loa Loa (eye worm) Notch2 0.0021 0.0093 0.0319
Brugia malayi Animal haem peroxidase family protein 0.0063 0.0594 0.2071
Mycobacterium tuberculosis Probable cytochrome P450 monooxygenase 142 Cyp142 0.0029 0.0195 1
Echinococcus multilocularis peroxidasin 0.0063 0.0594 0.2075
Echinococcus multilocularis neurogenic locus protein delta 0.0021 0.0093 0.0324
Schistosoma mansoni ap endonuclease 0.0018 0.0066 0.0072
Loa Loa (eye worm) hypothetical protein 0.0063 0.0594 0.2071
Onchocerca volvulus 0.0063 0.0594 0.2047
Mycobacterium ulcerans cytochrome P450 143A3 Cyp143A3 0.0029 0.0195 1
Loa Loa (eye worm) hypothetical protein 0.0021 0.0093 0.0319
Schistosoma mansoni jumonji/arid domain-containing protein 0.0038 0.0293 0.0482
Mycobacterium tuberculosis Probable cytochrome P450 125 Cyp125 0.0029 0.0195 1
Mycobacterium tuberculosis Probable cytochrome P450 132 Cyp132 0.0029 0.0195 1
Schistosoma mansoni notch 0.0021 0.0093 0.012
Loa Loa (eye worm) hypothetical protein 0.0021 0.0093 0.0319
Schistosoma mansoni ataxia telangiectasia mutated (atm)-related 0.0018 0.0058 0.0057
Loa Loa (eye worm) DOMON domain-containing protein 0.0049 0.0429 0.1496
Schistosoma mansoni notch 0.0021 0.0093 0.012
Trypanosoma cruzi phosphatidylinositol kinase related protein, putative 0.0024 0.0135 0.6418
Trypanosoma cruzi phosphatidylinositol kinase related protein, putative 0.0021 0.0095 0.4078
Schistosoma mansoni hypothetical protein 0.0021 0.0093 0.012
Mycobacterium tuberculosis Probable cytochrome P450 140 Cyp140 0.0029 0.0195 1
Echinococcus granulosus peroxidasin 0.0063 0.0594 0.2075
Trypanosoma cruzi Lanosterol 14-alpha demethylase 0.0029 0.0195 1
Loa Loa (eye worm) hypothetical protein 0.0043 0.0355 0.1235
Loa Loa (eye worm) hypothetical protein 0.0021 0.0093 0.0319
Mycobacterium tuberculosis Probable cytochrome P450 130 Cyp130 0.0029 0.0195 1
Echinococcus granulosus neurogenic locus notch protein 0.0021 0.0093 0.0324
Brugia malayi Bromodomain containing protein 0.0031 0.021 0.073
Loa Loa (eye worm) DOMON domain-containing protein 0.0049 0.0429 0.1496
Brugia malayi hypothetical protein 0.0063 0.0594 0.2071
Loa Loa (eye worm) hypothetical protein 0.0049 0.0419 0.146
Echinococcus multilocularis histone lysine methyltransferase setb histone lysine methyltransferase eggless 0.0046 0.0391 0.1367
Schistosoma mansoni phosphatidylinositol 3-and 4-kinase 0.0018 0.0058 0.0057
Loa Loa (eye worm) cytochrome P450 family protein 0.0029 0.0195 0.0676
Loa Loa (eye worm) hypothetical protein 0.0021 0.0093 0.0319
Brugia malayi Blistered cuticle protein 3 0.0063 0.0594 0.2071
Loa Loa (eye worm) hypothetical protein 0.0063 0.0594 0.2071
Echinococcus multilocularis phosphatidylinositol 3 and 4 kinase 0.0018 0.0058 0.0203
Loa Loa (eye worm) pre-SET domain-containing protein family protein 0.0203 0.2216 0.7742
Echinococcus granulosus protein jagged 2 0.0021 0.0093 0.0324
Schistosoma mansoni cytochrome P450 0.0029 0.0195 0.0305
Echinococcus multilocularis jumonji domain containing protein 0.0039 0.0313 0.1092
Mycobacterium tuberculosis Probable cytochrome P450 139 Cyp139 0.0029 0.0195 1
Echinococcus multilocularis neurogenic locus notch protein 0.0021 0.0093 0.0324
Onchocerca volvulus Peroxidase homolog 0.0063 0.0594 0.2047
Schistosoma mansoni notch 0.0021 0.0093 0.012
Echinococcus multilocularis protein jagged 1 0.0021 0.0093 0.0324
Echinococcus granulosus FKBP12 rapamycin complex associated protein 0.0018 0.0058 0.0203
Trypanosoma brucei Lanosterol 14-alpha demethylase 0.0029 0.0195 1
Treponema pallidum exodeoxyribonuclease (exoA) 0.0018 0.0066 0.5
Echinococcus granulosus 5'partial|histone lysine N methyltransferase SETDB2 0.0028 0.0179 0.0625
Leishmania major cytochrome p450-like protein 0.0029 0.0195 1
Loa Loa (eye worm) hypothetical protein 0.0021 0.0093 0.0319
Echinococcus multilocularis slit 2 protein 0.0021 0.0093 0.0324
Echinococcus granulosus protein jagged 2 0.0021 0.0093 0.0324
Loa Loa (eye worm) hypothetical protein 0.0063 0.0594 0.2071
Loa Loa (eye worm) hypothetical protein 0.004 0.0314 0.1094
Echinococcus granulosus jumonji domain containing protein 0.0039 0.0313 0.1092
Loa Loa (eye worm) hypothetical protein 0.0021 0.0093 0.0319
Loa Loa (eye worm) hypothetical protein 0.0021 0.0093 0.0319
Schistosoma mansoni laminin gamma-3 chain 0.0021 0.0093 0.012
Loa Loa (eye worm) hypothetical protein 0.0021 0.0093 0.0319
Echinococcus granulosus PHD finger protein rhinoceros 0.0028 0.0183 0.0641
Echinococcus granulosus neurogenic locus protein delta 0.0021 0.0093 0.0324
Mycobacterium ulcerans cytochrome P450 140A5 Cyp140A5 0.0029 0.0195 1
Giardia lamblia PHD finger protein 15 0.0028 0.0183 1
Loa Loa (eye worm) PHD-finger family protein 0.0028 0.0183 0.0636
Echinococcus multilocularis neurogenic locus notch protein 0.0021 0.0093 0.0324
Schistosoma mansoni hypothetical protein 0.0021 0.0093 0.012
Leishmania major target of rapamycin (TOR) kinase 1, putative 0.0018 0.0058 0.1874
Mycobacterium ulcerans cytochrome P450 51B1 Cyp51B1 0.0029 0.0195 1
Echinococcus multilocularis serine protein kinase ATM 0.0024 0.0135 0.047
Plasmodium vivax SET domain protein, putative 0.003 0.0198 1
Schistosoma mansoni hypothetical protein 0.0029 0.0195 0.0305
Schistosoma mansoni histone-lysine n-methyltransferase setb1 0.0046 0.0391 0.0661
Echinococcus multilocularis notch 0.0021 0.0093 0.0324
Loa Loa (eye worm) phosphatidylinositol 3 0.0018 0.0058 0.0198
Trypanosoma cruzi apurinic/apyrimidinic endonuclease, putative 0.0018 0.0066 0.236
Mycobacterium ulcerans cytochrome P450 142A3 Cyp142A3 0.0029 0.0195 1
Brugia malayi Phosphatidylinositol 3- and 4-kinase family protein 0.0018 0.0058 0.0198
Mycobacterium tuberculosis Probable cytochrome P450 128 Cyp128 0.0029 0.0195 1
Brugia malayi Calcium binding EGF domain containing protein 0.0021 0.0093 0.0319
Schistosoma mansoni bromodomain-containing nuclear protein 1 brd1 0.0028 0.0183 0.0284
Trypanosoma brucei Phosphatidylinositol 3-kinase tor1 0.0018 0.0058 0.1874
Brugia malayi Cytochrome P450 family protein 0.0029 0.0195 0.0676
Loa Loa (eye worm) hypothetical protein 0.0021 0.0093 0.0319
Mycobacterium ulcerans cytochrome P450 187A5 Cyp187A5 0.0029 0.0195 1
Echinococcus multilocularis protein jagged 2 0.0021 0.0093 0.0324
Loa Loa (eye worm) hypothetical protein 0.0258 0.2862 1
Loa Loa (eye worm) hypothetical protein 0.0046 0.0391 0.1363
Trypanosoma brucei phosphatidylinositol 4-kinase, putative 0.0018 0.0058 0.1874
Brugia malayi Animal haem peroxidase family protein 0.0063 0.0594 0.2071
Mycobacterium ulcerans cytochrome P450 126A3 Cyp126A3 0.0029 0.0195 1
Mycobacterium tuberculosis Possible cytochrome P450 135A1 Cyp135A1 0.0029 0.0195 1
Echinococcus multilocularis zinc finger protein 0.0021 0.0093 0.0327
Brugia malayi Pre-SET motif family protein 0.0203 0.2216 0.7742
Loa Loa (eye worm) hypothetical protein 0.0021 0.0095 0.0328
Echinococcus multilocularis 0.0029 0.0195 0.0681
Schistosoma mansoni acetyl-CoA C-acetyltransferase 0.0023 0.0127 0.0182
Leishmania major phosphatidylinositol kinase related protein, putative 0.0018 0.0058 0.1898
Brugia malayi Transmembrane cell adhesion receptor mua-3 precursor, putative 0.0021 0.0093 0.0319
Mycobacterium tuberculosis Probable cytochrome P450 138 Cyp138 0.0029 0.0195 1
Loa Loa (eye worm) blistered cuticle protein 3 0.0063 0.0594 0.2071
Loa Loa (eye worm) hypothetical protein 0.0063 0.0594 0.2071
Echinococcus granulosus cpg binding protein 0.0031 0.0219 0.0764
Mycobacterium ulcerans cytochrome P450 123A3 Cyp123A3 0.0029 0.0195 1
Schistosoma mansoni methyl-cpg binding protein mbd 0.0017 0.0046 0.0036
Trypanosoma cruzi apurinic/apyrimidinic endonuclease 0.0018 0.0066 0.236
Mycobacterium tuberculosis Probable cytochrome P450 137 Cyp137 0.0029 0.0195 1
Mycobacterium ulcerans cytochrome P450 136A2 Cyp136A2 0.0029 0.0195 1
Loa Loa (eye worm) hypothetical protein 0.0021 0.0093 0.0319
Mycobacterium ulcerans cytochrome P450 108B4 Cyp108B4 0.0029 0.0195 1
Brugia malayi Peroxidasin 0.0063 0.0594 0.2071
Brugia malayi PHD-finger family protein 0.0026 0.0154 0.0533
Echinococcus multilocularis cpg binding protein 0.0031 0.0219 0.0764
Giardia lamblia Endonuclease/Exonuclease/phosphatase 0.0018 0.0066 0.0652
Mycobacterium tuberculosis Probable cytochrome P450 136 Cyp136 0.0029 0.0195 1
Trypanosoma brucei target of rapamycin kinase 3, putative 0.0018 0.0058 0.1874
Trypanosoma cruzi cytochrome P450, putative 0.0029 0.0195 1

Activities

Activity type Activity value Assay description Source Reference
IC50 (binding) = 1.37 uM Inhibition of COX1 in human whole blood assessed as inhibition of calcium ionophore A23187-stimulated platelet aggregation by measuring TXB2 production ChEMBL. 15615524
IC50 (binding) = 1.37 uM Inhibition of COX1 in human whole blood assessed as inhibition of calcium ionophore A23187-stimulated platelet aggregation by measuring TXB2 production ChEMBL. 15615524
IC50 (binding) = 2.55 uM Inhibition of COX2 in human whole blood assessed as inhibition of LPS-stimulated PGE2 production ChEMBL. 15615524
IC50 (binding) = 2.55 uM Inhibition of COX2 in human whole blood assessed as inhibition of LPS-stimulated PGE2 production ChEMBL. 15615524
Ratio IC50 (binding) = 0.54 Selectivity ratio of IC50 for human COX1 to IC50 for human COX2 ChEMBL. 15615524

Phenotypes

Whole-cell/tissue/organism interactions

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

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

Annotated phenotypes:

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

External resources for this compound

Bibliographic References

1 literature reference was collected for this gene.

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