Detailed information for compound 320559

Basic information

Technical information
  • TDR Targets ID: 320559
  • Name: 4-methyl-N-(4-methylphenyl)benzenesulfonamide
  • MW: 261.339 | Formula: C14H15NO2S
  • H donors: 1 H acceptors: 2 LogP: 3.17 Rotable bonds: 3
    Rule of 5 violations (Lipinski): 1
  • SMILES: Cc1ccc(cc1)NS(=O)(=O)c1ccc(cc1)C
  • InChi: 1S/C14H15NO2S/c1-11-3-7-13(8-4-11)15-18(16,17)14-9-5-12(2)6-10-14/h3-10,15H,1-2H3
  • InChiKey: GPLXRIVINNIQFY-UHFFFAOYSA-N  


Substructure search Similarity search

Network

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Synonyms

  • 4-methyl-N-(p-tolyl)benzenesulfonamide
  • 4-[[(4-METHYLBENZENE)SULFONYL]AMINO]TOLUENE
  • 599-86-0
  • AI3-22944
  • Benzenesulfonamide, 4-methyl-N-(4-methylphenyl)-
  • EINECS 209-975-9
  • N-(p-Toluene sulfonyl)-p-toluidide
  • N-(p-Tolyl)-p-toluenesulphonamide
  • NSC2219
  • NSC49574
  • T5427784
  • ZINC00409060

Targets

Known targets for this compound

No curated genes were found associated with this compound

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
Entamoeba histolytica acyl-coA synthetase, putative 0.0024 0.0026 0.2334
Toxoplasma gondii 2,4-dienoyl CoA reductase 2, peroxisomal family protein 0.0026 0.0031 0.0178
Entamoeba histolytica hypothetical protein 0.0037 0.0071 0.8176
Mycobacterium ulcerans 3-ketoacyl-ACP reductase 0.0026 0.0031 0.0027
Loa Loa (eye worm) hypothetical protein 0.0041 0.0084 0.0666
Chlamydia trachomatis metal ABC transporter permease 0.0392 0.1339 1
Mycobacterium ulcerans hypothetical protein 0.0024 0.0026 0.0022
Mycobacterium ulcerans exodeoxyribonuclease III protein XthA 0.0019 0.0008 0.0004
Mycobacterium ulcerans short-chain type dehydrogenase/reductase 0.0026 0.0031 0.0027
Toxoplasma gondii cysteine-tRNA synthetase (CysRS) 0.0041 0.0085 0.0598
Onchocerca volvulus 0.0041 0.0084 0.2897
Schistosoma mansoni cysteinyl-tRNA synthetase 0.0041 0.0085 0.0646
Brugia malayi hypothetical protein 0.0037 0.0071 0.0528
Onchocerca volvulus 0.0041 0.0084 0.2897
Brugia malayi jmjC domain containing protein 0.0061 0.0155 0.1231
Trypanosoma cruzi cytochrome P450, putative 0.0024 0.0023 0.0365
Mycobacterium ulcerans short chain dehydrogenase 0.0026 0.0031 0.0027
Mycobacterium tuberculosis Probable chain -fatty-acid-CoA ligase FadD13 (fatty-acyl-CoA synthetase) 0.0024 0.0026 0.0026
Schistosoma mansoni gcn5proteinral control of amino-acid synthesis 5-like 2 gcnl2 0.015 0.0473 0.3881
Mycobacterium tuberculosis Cysteine:1D-myo-inosityl 2-amino-2-deoxy--D-glucopyranoside ligase MshC 0.2816 1 1
Loa Loa (eye worm) jmjC domain-containing protein 0.0061 0.0155 0.126
Leishmania major 4-coumarate:coa ligase-like protein 0.0024 0.0026 0.0435
Toxoplasma gondii hypothetical protein 0.0045 0.01 0.0711
Plasmodium falciparum histone acetyltransferase GCN5 0.004 0.0082 0.0606
Chlamydia trachomatis cysteine--tRNA ligase 0.0041 0.0085 0.061
Mycobacterium ulcerans 3-ketoacyl-ACP reductase 0.0026 0.0031 0.0027
Schistosoma mansoni cytochrome oxidase subunit 0.008 0.0226 0.1821
Mycobacterium ulcerans short-chain type dehydrogenase/reductase 0.0026 0.0031 0.0027
Toxoplasma gondii short chain dehydrogenase family protein, putative 0.0026 0.0031 0.0178
Loa Loa (eye worm) hypothetical protein 0.0041 0.0084 0.0666
Mycobacterium ulcerans cytochrome C oxidase (subunit III) CtaE 0.0074 0.0202 0.0199
Leishmania major dehydrogenase/oxidoreductase-like protein 0.0026 0.0031 0.0556
Schistosoma mansoni cytochrome oxidase subunit 0.008 0.0226 0.1821
Loa Loa (eye worm) hypothetical protein 0.0041 0.0084 0.0666
Mycobacterium tuberculosis Iron-dependent repressor and activator IdeR 0.1918 0.6791 0.6791
Entamoeba histolytica hypothetical protein 0.0037 0.0071 0.8176
Mycobacterium tuberculosis Probable transcriptional repressor SirR 0.1918 0.6791 0.6791
Mycobacterium ulcerans long-chain-fatty-acid--CoA ligase 0.0024 0.0026 0.0022
Loa Loa (eye worm) hypothetical protein 0.0041 0.0084 0.0666
Mycobacterium ulcerans 3-ketoacyl-ACP reductase 0.0026 0.0031 0.0027
Leishmania major dihydrofolate reductase-thymidylate synthase 0.0136 0.0423 1
Brugia malayi acetyltransferase, GNAT family protein 0.015 0.0473 0.3881
Mycobacterium tuberculosis Probable cytochrome C oxidase (subunit III) CtaE 0.0074 0.0202 0.0202
Chlamydia trachomatis oxoacy-ACP reductase 0.0026 0.0031 0.0203
Loa Loa (eye worm) animal heme peroxidase 0.0041 0.0084 0.0666
Mycobacterium ulcerans short chain dehydrogenase 0.0026 0.0031 0.0027
Trypanosoma cruzi oxidoreductase-like protein, putative 0.0026 0.0031 0.0556
Loa Loa (eye worm) cytochrome c oxidase subunit I 0.0033 0.0056 0.0437
Loa Loa (eye worm) hypothetical protein 0.0041 0.0084 0.0666
Loa Loa (eye worm) animal heme peroxidase 0.0041 0.0084 0.0666
Schistosoma mansoni cytochrome c oxidase subunit III 0.0029 0.0041 0.0277
Mycobacterium tuberculosis Possible oxidoreductase 0.0026 0.0031 0.0031
Mycobacterium ulcerans short chain dehydrogenase 0.0026 0.0031 0.0027
Plasmodium falciparum 3-oxoacyl-[acyl-carrier-protein] reductase 0.0026 0.0031 0.0209
Loa Loa (eye worm) cytochrome P450 family protein 0.0034 0.0061 0.0476
Loa Loa (eye worm) acetyltransferase 0.015 0.0473 0.3902
Loa Loa (eye worm) hypothetical protein 0.0024 0.0026 0.0184
Mycobacterium ulcerans acyl-CoA synthetase 0.0024 0.0026 0.0022
Onchocerca volvulus Chorion peroxidase homolog 0.0041 0.0084 0.2897
Plasmodium vivax bifunctional dihydrofolate reductase-thymidylate synthase, putative 0.0136 0.0423 0.3227
Brugia malayi AMP-binding enzyme family protein 0.0024 0.0026 0.0151
Onchocerca volvulus Peroxidasin homolog 0.0041 0.0084 0.2897
Plasmodium vivax cytochrome c oxidase subunit I 0.008 0.0226 0.1711
Mycobacterium tuberculosis Probable short-chain type dehydrogenase/reductase 0.0026 0.0031 0.0031
Entamoeba histolytica cysteinyl-tRNA synthetase, putative 0.0041 0.0085 1
Mycobacterium ulcerans 3-oxoacyl-ACP reductase 0.0026 0.0031 0.0027
Brugia malayi Animal haem peroxidase family protein 0.0041 0.0084 0.0635
Echinococcus granulosus 3 oxoacyl acyl carrier protein reductase 0.0026 0.0031 0.0193
Mycobacterium ulcerans cytochrome C oxidase polypeptide I CtaD 0.008 0.0226 0.0222
Trichomonas vaginalis cat eye syndrome critical region protein 2, cscr2, putative 0.0044 0.0095 0.0678
Entamoeba histolytica hypothetical protein 0.0037 0.0071 0.8176
Schistosoma mansoni hypothetical protein 0.0175 0.0563 0.4636
Loa Loa (eye worm) hypothetical protein 0.0041 0.0084 0.0666
Loa Loa (eye worm) hypothetical protein 0.0041 0.0084 0.0666
Schistosoma mansoni cysteinyl-tRNA synthetase 0.0041 0.0085 0.0646
Trypanosoma brucei cytochrome P450, putative 0.0024 0.0023 0.0365
Mycobacterium ulcerans short-chain type dehydrogenase/reductase 0.0026 0.0031 0.0027
Mycobacterium ulcerans fatty-acid-CoA ligase 0.0024 0.0026 0.0022
Brugia malayi AMP-binding enzyme family protein 0.0024 0.0026 0.0151
Mycobacterium tuberculosis Probable dehydrogenase/reductase 0.0026 0.0031 0.0031
Mycobacterium ulcerans 3-ketoacyl-ACP reductase 0.0026 0.0031 0.0027
Plasmodium vivax histone acetyltransferase GCN5, putative 0.0044 0.0095 0.0707
Loa Loa (eye worm) hypothetical protein 0.0041 0.0085 0.0678
Treponema pallidum cysteinyl-tRNA synthetase 0.0041 0.0085 0.0162
Onchocerca volvulus 0.0041 0.0085 0.2966
Brugia malayi Animal haem peroxidase family protein 0.0041 0.0084 0.0635
Giardia lamblia Cysteinyl-tRNA synthetase 0.0041 0.0085 1
Schistosoma mansoni cytochrome oxidase subunit 0.008 0.0226 0.1821
Plasmodium falciparum cytochrome c oxidase subunit 1 0.008 0.0226 0.1711
Loa Loa (eye worm) CYP4Cod1 0.0024 0.0023 0.016
Plasmodium vivax AP endonuclease (DNA-[apurinic or apyrimidinic site] lyase), putative 0.0019 0.0008 0.0031
Loa Loa (eye worm) hypothetical protein 0.0041 0.0084 0.0666
Plasmodium vivax enoyl-acyl carrier protein reductase 0.0382 0.1302 1
Entamoeba histolytica acyl-CoA synthetase, putative 0.0024 0.0026 0.2334
Mycobacterium ulcerans long-chain fatty-acid CoA ligase 0.0024 0.0026 0.0022
Schistosoma mansoni hypothetical protein 0.0175 0.0563 0.4636
Schistosoma mansoni jumonji domain containing protein 0.0061 0.0155 0.1231
Trypanosoma cruzi dihydrofolate reductase-thymidylate synthase 0.0136 0.0423 1
Loa Loa (eye worm) oxidoreductase 0.0026 0.0031 0.0225
Mycobacterium ulcerans short chain dehydrogenase 0.0026 0.0031 0.0027
Loa Loa (eye worm) blistered cuticle protein 3 0.0041 0.0084 0.0666
Mycobacterium ulcerans short chain dehydrogenase 0.0026 0.0031 0.0027
Brugia malayi hypothetical protein 0.0041 0.0084 0.0635
Echinococcus granulosus Basic leucine zipper bZIP transcription 0.0037 0.0071 0.0528
Toxoplasma gondii bifunctional dihydrofolate reductase-thymidylate synthase 0.0136 0.0423 0.3206
Leishmania major dehydrogenase/oxidoreductase-like protein 0.0026 0.0031 0.0556
Toxoplasma gondii cytochrome c oxidase subunit iii subfamily protein 0.0074 0.0202 0.1502
Plasmodium vivax 3-oxoacyl-[acyl-carrier-protein] reductase, putative 0.0026 0.0031 0.0209
Giardia lamblia Histone acetyltransferase GCN5 0.004 0.0082 0.965
Entamoeba histolytica acyl-CoA synthetase, putative 0.0024 0.0026 0.2334
Echinococcus multilocularis cysteinyl tRNA synthetase 0.0041 0.0085 0.0646
Onchocerca volvulus 0.008 0.0226 1
Toxoplasma gondii enoyl-acyl carrier reductase ENR 0.0382 0.1302 1
Brugia malayi Animal haem peroxidase family protein 0.0041 0.0084 0.0635
Onchocerca volvulus 0.0041 0.0084 0.2897
Mycobacterium leprae PROBABLE CYTOCHROME C OXIDASE (SUBUNIT III) CTAE 0.0074 0.0202 0.0177
Mycobacterium tuberculosis Possible oxidoreductase 0.0026 0.0031 0.0031
Mycobacterium leprae DIHYDROFOLATE REDUCTASE DFRA (DHFR) (TETRAHYDROFOLATE DEHYDROGENASE) 0.0355 0.1205 0.1183
Brugia malayi Peroxidasin 0.0041 0.0084 0.0635
Loa Loa (eye worm) hypothetical protein 0.0041 0.0084 0.0666
Loa Loa (eye worm) hypothetical protein 0.0024 0.0026 0.0184
Leishmania major 4-coumarate:coa ligase-like protein 0.0024 0.0026 0.0435
Mycobacterium ulcerans short chain dehydrogenase 0.0026 0.0031 0.0027
Loa Loa (eye worm) animal heme peroxidase 0.0041 0.0084 0.0666
Mycobacterium ulcerans 3-alpha-hydroxysteroid dehydrogenase 0.0026 0.0031 0.0027
Mycobacterium ulcerans short chain dehydrogenase 0.0026 0.0031 0.0027
Brugia malayi jmjC domain containing protein 0.0061 0.0155 0.1231
Entamoeba histolytica 3-oxoacyl-(acyl-carrier protein) reductase, putative 0.0026 0.0031 0.298
Trypanosoma cruzi cytochrome P450, putative 0.0024 0.0023 0.0365
Mycobacterium ulcerans short chain dehydrogenase 0.0026 0.0031 0.0027
Plasmodium falciparum bifunctional dihydrofolate reductase-thymidylate synthase 0.0136 0.0423 0.3227
Brugia malayi Cytochrome P450 family protein 0.0024 0.0023 0.0126
Mycobacterium ulcerans oxidoreductase 0.0026 0.0031 0.0027
Entamoeba histolytica acetyltransferase, GNAT family 0.004 0.0082 0.965
Mycobacterium ulcerans arylamine N-acetyltransferase Nat 0.0652 0.2268 0.2265
Brugia malayi Dihydrofolate reductase 0.0355 0.1205 1
Mycobacterium ulcerans short-chain type dehydrogenase/reductase 0.0026 0.0031 0.0027
Loa Loa (eye worm) cytochrome c oxidase subunit III 0.0029 0.0041 0.0309
Trypanosoma brucei pteridine reductase 1 0.0026 0.0031 0.0556
Schistosoma mansoni peroxidasin 0.0041 0.0084 0.0635
Plasmodium falciparum enoyl-acyl carrier reductase 0.0382 0.1302 1
Schistosoma mansoni cytochrome oxidase subunit 0.008 0.0226 0.1821
Onchocerca volvulus Cytochrome c oxidase subunit 3 0.0074 0.0202 0.8818
Loa Loa (eye worm) cytochrome P450 family protein 0.0024 0.0023 0.016
Echinococcus granulosus cysteinyl tRNA synthetase 0.0041 0.0085 0.0646
Loa Loa (eye worm) dihydrofolate reductase 0.0355 0.1205 1
Toxoplasma gondii hypothetical protein 0.0045 0.01 0.0711
Mycobacterium leprae POSSIBLE OXIDOREDUCTASE 0.0026 0.0031 0.0005
Mycobacterium ulcerans short-chain type dehydrogenase/reductase 0.0026 0.0031 0.0027
Schistosoma mansoni transcription factor LCR-F1 0.0037 0.0071 0.0528
Brugia malayi Cytochrome P450 family protein 0.0024 0.0023 0.0126
Echinococcus granulosus histone acetyltransferase KAT2B 0.0044 0.0095 0.0733
Mycobacterium tuberculosis Probable short-chain type dehydrogenase/reductase 0.0026 0.0031 0.0031
Schistosoma mansoni dihydrofolate reductase 0.0355 0.1205 1
Echinococcus granulosus cytochrome c oxidase subunit 1 0.008 0.0226 0.1821
Echinococcus multilocularis peroxidasin 0.0041 0.0084 0.0635
Echinococcus granulosus dihydrofolate reductase 0.0355 0.1205 1
Loa Loa (eye worm) hypothetical protein 0.0024 0.0026 0.0184
Brugia malayi AMP-binding enzyme family protein 0.0024 0.0026 0.0151
Echinococcus granulosus Cytochrome c oxidase subunit III 0.0074 0.0202 0.1624
Mycobacterium leprae PROBABLE CYTOCHROME C OXIDASE POLYPEPTIDE I CTAD (CYTOCHROME AA3 SUBUNIT 1) 0.008 0.0226 0.0201
Leishmania major oxidoreductase-like protein 0.0026 0.0031 0.0556
Echinococcus multilocularis Basic leucine zipper (bZIP) transcription 0.0037 0.0071 0.0528
Echinococcus multilocularis lysine specific demethylase 5A 0.0061 0.0155 0.1231
Onchocerca volvulus Cytochrome c oxidase subunit 1 homolog 0.008 0.0226 1
Trypanosoma brucei cysteinyl-tRNA synthetase, putative 0.0041 0.0085 0.1864
Onchocerca volvulus 0.0026 0.0031 0.025
Plasmodium vivax cysteine--tRNA ligase, putative 0.0041 0.0085 0.0627
Mycobacterium tuberculosis Probable short-chain type dehydrogenase/reductase 0.0026 0.0031 0.0031
Mycobacterium ulcerans acyl-CoA synthetase 0.0024 0.0026 0.0022
Loa Loa (eye worm) 3-hydroxyacyl-CoA dehydrogenase type II 0.0026 0.0031 0.0225
Mycobacterium tuberculosis Possible 20-beta-hydroxysteroid dehydrogenase FabG3 (cortisone reductase) ((R)-20-hydroxysteroid dehydrogenase) 0.0026 0.0031 0.0031
Mycobacterium ulcerans iron-dependent repressor and activator IdeR 0.1918 0.6791 0.6789
Mycobacterium tuberculosis Probable fatty-acid-CoA ligase FadD2 (fatty-acid-CoA synthetase) (fatty-acid-CoA synthase) 0.0024 0.0026 0.0026
Plasmodium falciparum cysteine--tRNA ligase 0.0041 0.0085 0.0627
Brugia malayi Cytochrome P450 family protein 0.0034 0.0061 0.0444
Wolbachia endosymbiont of Brugia malayi cysteinyl-tRNA synthetase 0.0041 0.0085 0.0598
Mycobacterium tuberculosis NADH-dependent enoyl-[acyl-carrier-protein] reductase InhA (NADH-dependent enoyl-ACP reductase) 0.0382 0.1302 0.1302
Brugia malayi Blistered cuticle protein 3 0.0041 0.0084 0.0635
Mycobacterium ulcerans short-chain type dehydrogenase/reductase 0.0026 0.0031 0.0027
Plasmodium falciparum cysteine--tRNA ligase 0.0041 0.0085 0.0627
Brugia malayi Animal haem peroxidase family protein 0.0041 0.0084 0.0635
Plasmodium vivax unspecified product 0.0074 0.0202 0.1529
Treponema pallidum cation-activated repressor protein (troR) 0.1357 0.4787 1
Mycobacterium ulcerans long-chain-fatty-acid-CoA ligase 0.0024 0.0026 0.0022
Echinococcus granulosus lysine specific demethylase 5A 0.0061 0.0155 0.1231
Echinococcus granulosus Transcription factor JmjC domain containing protein 0.0061 0.0155 0.1231
Toxoplasma gondii histone lysine acetyltransferase GCN5-A 0.0044 0.0095 0.0678
Echinococcus granulosus leucyl tRNA synthetase 0.0041 0.0085 0.0646
Mycobacterium ulcerans cysteinyl-tRNA synthetase 0.2816 1 1
Schistosoma mansoni cytochrome c oxidase subunit I 0.0033 0.0056 0.0405
Loa Loa (eye worm) cysteinyl tRNA synthetase 1 0.0041 0.0085 0.0678
Trypanosoma cruzi cysteinyl-tRNA synthetase, putative 0.0041 0.0085 0.1864
Mycobacterium ulcerans cytochrome P450 185A4 Cyp185A4 0.0024 0.0023 0.0019
Echinococcus multilocularis geminin 0.0175 0.0563 0.4636
Loa Loa (eye worm) hypothetical protein 0.0041 0.0084 0.0666
Mycobacterium ulcerans short chain dehydrogenase 0.0026 0.0031 0.0027
Mycobacterium ulcerans transcriptional repressor SirR 0.1918 0.6791 0.6789
Brugia malayi oxidoreductase, short chain dehydrogenase/reductase family protein 0.0026 0.0031 0.0193
Loa Loa (eye worm) cytochrome P450 family protein 0.0024 0.0023 0.016
Loa Loa (eye worm) exodeoxyribonuclease III family protein 0.0019 0.0008 0.0033
Echinococcus granulosus geminin 0.0175 0.0563 0.4636
Chlamydia trachomatis enoyl-acyl-carrier protein reductase 0.0382 0.1302 0.9726
Wolbachia endosymbiont of Brugia malayi cytochrome c oxidase, subunit 1 0.008 0.0226 0.1685
Schistosoma mansoni jumonji/arid domain-containing protein 0.0061 0.0155 0.1231
Mycobacterium ulcerans 3-oxoacyl-ACP reductase 0.0026 0.0031 0.0027
Mycobacterium ulcerans dihydrofolate reductase DfrA 0.0355 0.1205 0.1202
Trichomonas vaginalis bromodomain-containing protein, putative 0.0044 0.0095 0.0678
Entamoeba histolytica hypothetical protein 0.0037 0.0071 0.8176
Mycobacterium ulcerans short-chain type dehydrogenase/reductase 0.0026 0.0031 0.0027
Echinococcus granulosus histone acetyltransferase KAT2B 0.0145 0.0458 0.3756
Trypanosoma cruzi cysteinyl-tRNA synthetase, putative 0.0041 0.0085 0.1864
Toxoplasma gondii 3-ketoacyl-(acyl-carrier-protein) reductase 0.0026 0.0031 0.0178
Schistosoma mansoni peroxidasin 0.0041 0.0084 0.0635
Leishmania major 3-oxoacyl-ACP reductase, putative 0.0026 0.0031 0.0556
Trypanosoma brucei beta-ketoacyl-ACP reductase 0.0026 0.0031 0.0556
Brugia malayi cytochrome c oxidase subunit III 0.0029 0.0041 0.0277
Trypanosoma brucei oxidoreductase-like protein 0.0026 0.0031 0.0556
Trypanosoma cruzi beta-ketoacyl-ACP reductase 0.0026 0.0031 0.0556
Loa Loa (eye worm) hypothetical protein 0.0041 0.0084 0.0666
Wolbachia endosymbiont of Brugia malayi enoyl-ACP reductase 0.0382 0.1302 1
Mycobacterium tuberculosis Probable 3-oxoacyl-[acyl-carrier protein] reductase FabG2 (3-ketoacyl-acyl carrier protein reductase) 0.0026 0.0031 0.0031
Onchocerca volvulus Peroxidase homolog 0.0041 0.0084 0.2897
Loa Loa (eye worm) hypothetical protein 0.0041 0.0084 0.0666
Brugia malayi cysteinyl tRNA synthetase protein 1 0.0041 0.0085 0.0646
Mycobacterium ulcerans cysteinyl-tRNA synthetase 0.0041 0.0085 0.0081
Brugia malayi Animal haem peroxidase family protein 0.0041 0.0084 0.0635
Mycobacterium ulcerans short-chain type dehydrogenase/reductase 0.0026 0.0031 0.0027
Mycobacterium leprae NADH-DEPENDENT ENOYL-[ACYL-CARRIER-PROTEIN] REDUCTASE INHA (NADH-DEPENDENT ENOYL-ACP REDUCTASE) 0.0382 0.1302 0.128
Onchocerca volvulus 0.0026 0.0031 0.025
Leishmania major cysteinyl-tRNA synthetase, putative 0.0041 0.0085 0.1864
Trichomonas vaginalis cysteinyl-tRNA synthetase, putative 0.0041 0.0085 0.0598
Echinococcus multilocularis Transcription factor, JmjC domain containing protein 0.0061 0.0155 0.1231
Mycobacterium tuberculosis Dihydrofolate reductase DfrA (DHFR) (tetrahydrofolate dehydrogenase) 0.0355 0.1205 0.1205
Leishmania major 4-coumarate:coa ligase-like protein 0.0024 0.0026 0.0435
Brugia malayi dihydrofolate reductase family protein 0.0355 0.1205 1
Loa Loa (eye worm) hypothetical protein 0.0041 0.0084 0.0666
Trichomonas vaginalis hypothetical protein 0.0382 0.1302 1
Leishmania major cytochrome p450-like protein 0.0024 0.0023 0.0365
Leishmania major pteridine reductase 1 0.0026 0.0031 0.0556
Wolbachia endosymbiont of Brugia malayi Short-chain alcohol dehydrogenase family enzyme 0.0026 0.0031 0.0178
Loa Loa (eye worm) animal heme peroxidase 0.0041 0.0084 0.0666
Schistosoma mansoni cytochrome-c oxidase 0.0074 0.0202 0.1624
Echinococcus multilocularis 3 oxoacyl acyl carrier protein reductase 0.0026 0.0031 0.0193
Mycobacterium ulcerans 3-ketoacyl-ACP reductase 0.0026 0.0031 0.0027
Mycobacterium leprae 3-OXOACYL-[ACYL-CARRIER PROTEIN] REDUCTASE FABG1 (3-KETOACYL-ACYL CARRIER PROTEIN REDUCTASE) (MYCOLIC ACID BIOSYNTHESIS A PROTEI 0.0026 0.0031 0.0005
Schistosoma mansoni 3-oxoacyl-[ACP] reductase 0.0026 0.0031 0.0193
Mycobacterium tuberculosis Fatty-acid-AMP ligase FadD30 (fatty-acid-AMP synthetase) (fatty-acid-AMP synthase) 0.0018 0.0004 0.0004
Chlamydia trachomatis dihydrofolate reductase 0.0355 0.1205 0.8999
Toxoplasma gondii histone lysine acetyltransferase GCN5-B 0.0044 0.0095 0.0678
Mycobacterium tuberculosis Probable oxidoreductase 0.0026 0.0031 0.0031
Brugia malayi cytochrome c oxidase subunit I 0.0033 0.0056 0.0405
Loa Loa (eye worm) hypothetical protein 0.0026 0.0031 0.0225
Trypanosoma cruzi beta-ketoacyl-ACP reductase 0.0026 0.0031 0.0556
Brugia malayi oxidoreductase, short chain dehydrogenase/reductase family protein 0.0026 0.0031 0.0193
Wolbachia endosymbiont of Brugia malayi cytochrome c oxidase, subunit 3 0.0074 0.0202 0.1502
Loa Loa (eye worm) retinol dehydrogenase 12 0.0026 0.0031 0.0225
Echinococcus multilocularis gcn5proteinral control of amino acid synthesis 0.015 0.0473 0.3881
Mycobacterium ulcerans 20-beta-hydroxysteroid dehydrogenase FabG3 0.0026 0.0031 0.0027
Mycobacterium ulcerans short chain dehydrogenase 0.0026 0.0031 0.0027
Mycobacterium tuberculosis Probable cytochrome C oxidase polypeptide I CtaD (cytochrome AA3 subunit 1) 0.008 0.0226 0.0226
Schistosoma mansoni hypothetical protein 0.0037 0.0071 0.0528
Mycobacterium ulcerans enoyl-(acyl carrier protein) reductase 0.0382 0.1302 0.1299
Mycobacterium ulcerans cytochrome C oxidase polypeptide I CtaD 0.008 0.0226 0.0222
Plasmodium falciparum AP endonuclease (DNA-[apurinic or apyrimidinic site] lyase), putative 0.0019 0.0008 0.0031
Mycobacterium leprae IRON-DEPENDENT REPRESSOR AND ACTIVATOR IDER 0.1918 0.6791 0.6782
Schistosoma mansoni dihydropteridine reductase 0.0026 0.0031 0.0193
Mycobacterium ulcerans short chain dehydrogenase 0.0026 0.0031 0.0027
Schistosoma mansoni jumonji/arid domain-containing protein 0.0061 0.0155 0.1231
Echinococcus granulosus peroxidasin 0.0041 0.0084 0.0635
Mycobacterium tuberculosis Probable exodeoxyribonuclease III protein XthA (exonuclease III) (EXO III) (AP endonuclease VI) 0.0019 0.0008 0.0008
Loa Loa (eye worm) hypothetical protein 0.0041 0.0084 0.0666
Mycobacterium tuberculosis Arylamine N-acetyltransferase Nat (arylamine acetylase) 0.0652 0.2268 0.2268
Plasmodium vivax cytochrome c oxidase subunit 3 0.0074 0.0202 0.1529
Trypanosoma brucei dihydrofolate reductase-thymidylate synthase 0.0136 0.0423 1
Echinococcus multilocularis dihydrofolate reductase 0.0355 0.1205 1
Mycobacterium ulcerans acyl-CoA synthetase 0.0024 0.0026 0.0022
Onchocerca volvulus Dual oxidase homolog 0.0041 0.0084 0.2897
Mycobacterium ulcerans short chain dehydrogenase 0.0026 0.0031 0.0027
Onchocerca volvulus Peroxidasin homolog 0.0041 0.0084 0.2897
Onchocerca volvulus Peroxidase homolog 0.0041 0.0084 0.2897

Activities

Activity type Activity value Assay description Source Reference
Activity (binding) = 65 % Displacement of [3H]R1881 from wild type androgen receptor expressed in human PC3 cells at 10 uM ChEMBL. 18316193
Activity (binding) = 80 % Displacement of [3H]R1881 from wild type androgen receptor expressed in human PC3 cells at 20 uM ChEMBL. 18316193
Activity (binding) = 80 % Activity at androgen receptor expressed in human LNCaP cells assessed as decrease in dihydrotestosterone-stimulated transcriptional activity at 10 uM after 18 hrs by luciferase reporter gene assay ChEMBL. 18316193
EC50 (functional) = 150 uM Down regulation of androgen receptor expression in human LNCaP cells by Western blot analysis ChEMBL. 18316193
GI50 (functional) = 1.45 nM Cytotoxicity against human LNCaP cells after 5 days by MTT assay ChEMBL. 18316193
GI50 (functional) = 30200 nM Cytotoxicity against human PC3 cells after 5 days by MTT assay ChEMBL. 18316193
pKa = 9.65 pKa value ChEMBL. 15582440
pKa (ADMET) = 9.65 Protonation constant (Proton-ligand formation constant) of the compound was determined ChEMBL. 16046126

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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