Detailed information for compound 1204238

Basic information

Technical information
  • TDR Targets ID: 1204238
  • Name: 2-[4-[(4-methylphenyl)sulfamoyl]phenoxy]-N-(p yridin-3-ylmethyl)acetamide
  • MW: 411.474 | Formula: C21H21N3O4S
  • H donors: 2 H acceptors: 4 LogP: 2.55 Rotable bonds: 9
    Rule of 5 violations (Lipinski): 1
  • SMILES: O=C(NCc1cccnc1)COc1ccc(cc1)S(=O)(=O)Nc1ccc(cc1)C
  • InChi: 1S/C21H21N3O4S/c1-16-4-6-18(7-5-16)24-29(26,27)20-10-8-19(9-11-20)28-15-21(25)23-14-17-3-2-12-22-13-17/h2-13,24H,14-15H2,1H3,(H,23,25)
  • InChiKey: DDNSBKLMPOBLSU-UHFFFAOYSA-N  


Substructure search Similarity search

Network

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Synonyms

  • 2-[4-[(4-methylphenyl)sulfamoyl]phenoxy]-N-(3-pyridylmethyl)acetamide
  • 2-[4-[(4-methylphenyl)sulfamoyl]phenoxy]-N-(pyridin-3-ylmethyl)ethanamide
  • 2-(4-{[(4-methylphenyl)amino]sulfonyl}phenoxy)-N-(3-pyridinylmethyl)acetamide
  • MLS000583771
  • SMR000201642

Targets

Known targets for this compound

Species Target name Source Bibliographic reference
Homo sapiens huntingtin Starlite/ChEMBL No references
Homo sapiens apolipoprotein B mRNA editing enzyme, catalytic polypeptide-like 3D Starlite/ChEMBL No references

Predicted pathogen targets for this compound

By orthology
Species Potential target Known druggable target/s Ortholog Group
Loa Loa (eye worm) hypothetical protein Get druggable targets OG5_132837 All targets in OG5_132837
Onchocerca volvulus Huntingtin homolog Get druggable targets OG5_132837 All targets in OG5_132837
Onchocerca volvulus Huntingtin homolog Get druggable targets OG5_132837 All targets in OG5_132837
Brugia malayi hypothetical protein Get druggable targets OG5_132837 All targets in OG5_132837
Loa Loa (eye worm) hypothetical protein Get druggable targets OG5_132837 All targets in OG5_132837
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
Schistosoma mansoni histone-lysine n-methyltransferase setb1 0.0048 0.0459 0.0804
Trichomonas vaginalis conserved hypothetical protein 0.0014 0.0033 0.0035
Echinococcus multilocularis histone lysine N methyltransferase MLL3 0.0016 0.0063 0.0063
Echinococcus multilocularis acetyl coenzyme A synthetase, cytoplasmic 0.0022 0.013 0.013
Schistosoma mansoni mixed-lineage leukemia protein mll 0.0016 0.0063 0.0111
Loa Loa (eye worm) beta-lactamase 0.0035 0.0302 0.0595
Echinococcus granulosus Niemann Pick C1 protein 0.0097 0.1072 0.1881
Mycobacterium leprae PROBABLE FATTY-ACID-CoA LIGASE FADD2 (FATTY-ACID-CoA SYNTHETASE) (FATTY-ACID-CoA SYNTHASE) 0.0074 0.0785 0.7037
Loa Loa (eye worm) hypothetical protein 0.0074 0.0785 0.1745
Mycobacterium ulcerans acyl-CoA synthetase 0.0022 0.013 0.1414
Mycobacterium ulcerans acyl-CoA synthetase 0.0022 0.013 0.1414
Mycobacterium ulcerans long-chain-acyl-CoA synthetase 0.0022 0.013 0.1414
Schistosoma mansoni importin beta-1 0.0033 0.027 0.0474
Loa Loa (eye worm) hypothetical protein 0.0069 0.073 0.1614
Loa Loa (eye worm) hypothetical protein 0.0045 0.0428 0.0895
Schistosoma mansoni histone-lysine n-methyltransferase suv9 0.0031 0.0248 0.0436
Plasmodium falciparum thioredoxin reductase 0.0038 0.0333 0.5867
Trypanosoma cruzi importin beta-1 subunit, putative 0.0027 0.0192 0.5472
Mycobacterium ulcerans phenyloxazoline synthase MbtB 0.0022 0.013 0.1414
Loa Loa (eye worm) hypothetical protein 0.0051 0.0496 0.1057
Mycobacterium leprae PROBABLE NADH DEHYDROGENASE NDH 0.0086 0.094 0.8702
Mycobacterium ulcerans acetyl-CoA synthetase 0.0022 0.013 0.1414
Mycobacterium ulcerans long-chain-fatty-acid-CoA ligase 0.0074 0.0785 1
Schistosoma mansoni hypothetical protein 0.002 0.0113 0.0198
Mycobacterium ulcerans long-chain-fatty-acid--CoA ligase 0.0074 0.0785 1
Plasmodium falciparum GTP-binding nuclear protein RAN/TC4 0.0024 0.0161 0.2627
Loa Loa (eye worm) hypothetical protein 0.0048 0.0459 0.0968
Schistosoma mansoni acid phosphatase-related 0.0015 0.0052 0.0091
Trypanosoma brucei GTP-binding nuclear protein rtb2, putative 0.0024 0.0161 0.4477
Echinococcus multilocularis Niemann Pick C1 protein 0.0138 0.1593 0.1593
Mycobacterium tuberculosis Probable NADH dehydrogenase Ndh 0.0086 0.094 0.2736
Schistosoma mansoni hypothetical protein 0.0284 0.3434 0.6023
Mycobacterium tuberculosis P-hydroxybenzoyl-AMP ligase FadD22 0.0022 0.013 0.0321
Onchocerca volvulus 0.0182 0.2153 0.7471
Echinococcus multilocularis polycomb protein SCMH1 0.0047 0.0446 0.0446
Mycobacterium ulcerans acyl-CoA synthetase 0.0074 0.0785 1
Mycobacterium tuberculosis Fatty-acid-AMP ligase FadD30 (fatty-acid-AMP synthetase) (fatty-acid-AMP synthase) 0.0055 0.0551 0.1575
Mycobacterium ulcerans long-chain fatty-acid CoA ligase 0.0074 0.0785 1
Schistosoma mansoni mixed-lineage leukemia protein mll 0.0131 0.1504 0.2638
Brugia malayi beta-lactamase family protein 0.0035 0.0302 0.1139
Mycobacterium tuberculosis Probable fatty-acid-CoA ligase FadD3 (fatty-acid-CoA synthetase) (fatty-acid-CoA synthase) 0.0052 0.0513 0.1462
Brugia malayi acetyl-Coenzyme A synthetase 2 0.0022 0.013 0.0439
Plasmodium vivax ataxin-2 like protein, putative 0.0025 0.0174 0.2871
Brugia malayi C2-HC type zinc finger protein C.e-MyT1 0.0053 0.0528 0.2058
Mycobacterium ulcerans acyl-CoA synthetase 0.0022 0.013 0.1414
Trypanosoma brucei long-chain-fatty-acid-CoA ligase, putative 0.0022 0.013 0.3479
Echinococcus multilocularis dihydrolipoamide dehydrogenase 0.0013 0.0023 0.0023
Onchocerca volvulus 0.0047 0.0446 0.1167
Plasmodium falciparum ataxin-2 like protein, putative 0.0025 0.0174 0.2871
Trichomonas vaginalis penicillin-binding protein, putative 0.0035 0.0302 0.0993
Schistosoma mansoni hypothetical protein 0.004 0.036 0.0632
Echinococcus multilocularis histone lysine N methyltransferase SETMAR 0.0031 0.0248 0.0248
Mycobacterium tuberculosis Probable medium chain fatty-acid-CoA ligase FadD14 (fatty-acid-CoA synthetase) (fatty-acid-CoA synthase) 0.0022 0.013 0.0321
Loa Loa (eye worm) hypothetical protein 0.0055 0.0551 0.1187
Mycobacterium ulcerans esterase/lipase LipP 0.0035 0.0302 0.3665
Leishmania major 4-coumarate:coa ligase-like protein 0.0074 0.0785 1
Loa Loa (eye worm) thioredoxin reductase 0.0038 0.0333 0.0668
Onchocerca volvulus 0.0031 0.0248 0.0436
Trypanosoma cruzi long-chain-fatty-acid-CoA ligase, putative 0.0022 0.013 0.3479
Trichomonas vaginalis conserved hypothetical protein 0.0014 0.0033 0.0035
Loa Loa (eye worm) hypothetical protein 0.004 0.0361 0.0734
Mycobacterium ulcerans hypothetical protein 0.0035 0.0302 0.3665
Mycobacterium ulcerans lipase LipD 0.0035 0.0302 0.3665
Trypanosoma cruzi acetyl-CoA synthetase, putative 0.0022 0.013 0.3479
Brugia malayi Importin beta-1 subunit 0.0033 0.027 0.1008
Loa Loa (eye worm) hypothetical protein 0.0033 0.027 0.0519
Echinococcus granulosus mixed lineage leukemia protein mll 0.0016 0.0063 0.0111
Brugia malayi AMP-binding enzyme family protein 0.0022 0.013 0.0439
Mycobacterium tuberculosis Probable peptide synthetase Nrp (peptide synthase) 0.0022 0.013 0.0321
Onchocerca volvulus 0.0035 0.0302 0.0634
Schistosoma mansoni dihydrolipoamide dehydrogenase 0.0013 0.0023 0.004
Brugia malayi Pre-SET motif family protein 0.0031 0.0248 0.092
Echinococcus multilocularis guanine nucleotide binding protein G(s) subunit 0.0046 0.0432 0.0432
Mycobacterium tuberculosis Conserved protein 0.028 0.3377 1
Echinococcus granulosus acetyl coenzyme A synthetase cytoplasmic 0.0022 0.013 0.0229
Toxoplasma gondii isocitrate dehydrogenase 0.0016 0.0056 0.0248
Loa Loa (eye worm) hypothetical protein 0.0148 0.1719 0.3965
Plasmodium vivax importin-beta 2, putative 0.0033 0.027 0.4685
Trichomonas vaginalis conserved hypothetical protein 0.0014 0.0033 0.0035
Schistosoma mansoni hypothetical protein 0.004 0.036 0.0632
Trypanosoma brucei trypanothione reductase 0.0038 0.0333 1
Loa Loa (eye worm) hypothetical protein 0.0035 0.0302 0.0595
Echinococcus multilocularis geminin 0.0359 0.4369 0.4369
Loa Loa (eye worm) hypothetical protein 0.0022 0.013 0.0187
Mycobacterium leprae PROBABLE FATTY-ACID-CoA LIGASE FADD7 (FATTY-ACID-CoA SYNTHETASE) (FATTY-ACID-CoA SYNTHASE) 0.0074 0.0785 0.7037
Plasmodium vivax thioredoxin reductase, putative 0.0038 0.0333 0.5867
Mycobacterium ulcerans acyl-CoA synthetase 0.0022 0.013 0.1414
Mycobacterium tuberculosis Probable fatty-acid-CoA ligase FadD7 (fatty-acid-CoA synthetase) (fatty-acid-CoA synthase) 0.0052 0.0513 0.1462
Leishmania major hypothetical protein, conserved 0.0025 0.0174 0.1989
Trichomonas vaginalis chromodomain helicase DNA binding protein, putative 0.0014 0.0033 0.0035
Echinococcus multilocularis fetal alzheimer antigen, falz 0.0026 0.018 0.018
Plasmodium falciparum acyl-CoA synthetase 0.0055 0.0551 1
Loa Loa (eye worm) hypothetical protein 0.0035 0.0302 0.0595
Mycobacterium ulcerans bifunctional enzyme MbtA: salicyl-AMP ligase (SAL-AMP ligase) + salicyl-S-ACP synthetase 0.0022 0.013 0.1414
Trichomonas vaginalis conserved hypothetical protein 0.0014 0.0033 0.0035
Brugia malayi mbt repeat family protein 0.0047 0.0446 0.1726
Echinococcus granulosus sterol regulatory element binding protein 0.0041 0.0379 0.0665
Toxoplasma gondii propionate-CoA ligase 0.0022 0.013 0.0807
Leishmania major trypanothione reductase 0.0038 0.0333 0.4064
Echinococcus granulosus thioredoxin glutathione reductase 0.0038 0.0339 0.0594
Trypanosoma cruzi isocitrate dehydrogenase [NADP], mitochondrial precursor, putative 0.0016 0.0056 0.1071
Echinococcus multilocularis protein patched 0.0041 0.0379 0.0379
Mycobacterium ulcerans acyl-CoA synthetase 0.0022 0.013 0.1414
Plasmodium falciparum isocitrate dehydrogenase [NADP], mitochondrial 0.0016 0.0056 0.0628
Trichomonas vaginalis chromodomain-helicase-DNA-binding protein, putative 0.0014 0.0033 0.0035
Echinococcus granulosus muscleblind protein 0.0149 0.1732 0.3037
Trypanosoma cruzi trypanothione reductase, putative 0.0038 0.0333 1
Trypanosoma cruzi ISWI complex protein 0.0015 0.0047 0.0783
Mycobacterium ulcerans non-ribosomal peptide synthetase MbtF 0.0022 0.013 0.1414
Trypanosoma brucei isocitrate dehydrogenase, putative 0.0016 0.0056 0.1071
Leishmania major hypothetical protein, conserved 0.0015 0.0047 0.0318
Loa Loa (eye worm) bromodomain containing protein 0.0017 0.0076 0.0057
Mycobacterium tuberculosis Probable nitrite reductase [NAD(P)H] large subunit [FAD flavoprotein] NirB 0.0086 0.094 0.2736
Echinococcus granulosus guanine nucleotide binding protein Gs subunit 0.0046 0.0432 0.0757
Leishmania major 4-coumarate:coa ligase-like protein 0.0074 0.0785 1
Loa Loa (eye worm) hypothetical protein 0.0055 0.0551 0.1187
Onchocerca volvulus Huntingtin homolog 0.0148 0.1719 0.5867
Wolbachia endosymbiont of Brugia malayi dihydrolipoamide dehydrogenase E3 component 0.0013 0.0023 0.5
Mycobacterium tuberculosis Putative ferredoxin reductase 0.0086 0.094 0.2736
Echinococcus granulosus methyl CpG binding domain protein 2 0.0017 0.0069 0.012
Schistosoma mansoni acetyl-CoA synthetase 0.0022 0.013 0.0229
Mycobacterium tuberculosis Probable fatty-acid-CoA ligase FadD35 (fatty-acid-CoA synthetase) (fatty-acid-CoA synthase) 0.0052 0.0513 0.1462
Schistosoma mansoni ran 0.0024 0.0161 0.0283
Trichomonas vaginalis conserved hypothetical protein 0.0041 0.0379 0.1267
Trichomonas vaginalis conserved hypothetical protein 0.0014 0.0033 0.0035
Echinococcus multilocularis SAM and MBT domain containing protein 0.0047 0.0446 0.0446
Loa Loa (eye worm) oxidoreductase 0.0022 0.013 0.0187
Schistosoma mansoni sex comb on midleg homolog 0.0047 0.0446 0.0783
Echinococcus granulosus histone lysine N methyltransferase MLL3 0.002 0.011 0.0193
Echinococcus multilocularis snurportin 1 0.035 0.4256 0.4256
Mycobacterium ulcerans peptide synthetase Nrp (peptide synthase) 0.0022 0.013 0.1414
Loa Loa (eye worm) histone methyltransferase 0.002 0.011 0.0138
Brugia malayi Isocitrate dehydrogenase 0.0016 0.0056 0.0135
Mycobacterium leprae conserved hypothetical protein 0.0035 0.0302 0.1846
Schistosoma mansoni hypothetical protein 0.0359 0.4369 0.7662
Trypanosoma brucei hypothetical protein, conserved 0.0035 0.0302 0.9019
Schistosoma mansoni hypothetical protein 0.0359 0.4369 0.7662
Leishmania major hypothetical protein, conserved 0.0035 0.0302 0.3665
Schistosoma mansoni patched 1 0.0041 0.0379 0.0665
Mycobacterium tuberculosis Bifunctional enzyme MbtA: salicyl-AMP ligase (SAL-AMP ligase) + salicyl-S-ArCP synthetase 0.0022 0.013 0.0321
Schistosoma mansoni acetyl-CoA C-acetyltransferase 0.0026 0.018 0.0316
Schistosoma mansoni methyl-cpg binding protein mbd 0.0017 0.0069 0.012
Echinococcus granulosus iron:zinc purple acid phosphatase protein 0.0016 0.0062 0.0108
Mycobacterium ulcerans acyl-CoA synthetase 0.0022 0.013 0.1414
Trichomonas vaginalis antibiotic synthetase, putative 0.0022 0.013 0.0383
Schistosoma mansoni niemann-pick C1 (NPC1) 0.0098 0.1091 0.1914
Mycobacterium tuberculosis Phenyloxazoline synthase MbtB (phenyloxazoline synthetase) 0.0022 0.013 0.0321
Brugia malayi AMP-binding enzyme family protein 0.0022 0.013 0.0439
Trypanosoma brucei acetyl-CoA synthetase, putative 0.0022 0.013 0.3479
Echinococcus multilocularis NADP dependent isocitrate dehydrogenase 0.0016 0.0056 0.0056
Brugia malayi PHD-finger family protein 0.0028 0.0209 0.076
Brugia malayi Bromodomain containing protein 0.0077 0.0827 0.3276
Schistosoma mansoni methyl-cpg binding protein mbd 0.0017 0.0069 0.012
Echinococcus multilocularis endonuclease exonuclease phosphatase 0.0184 0.2176 0.2176
Chlamydia trachomatis acylglycerophosphoethanolamine acyltransferase 0.0055 0.0551 1
Leishmania major long-chain-fatty-acid-CoA ligase, putative 0.0022 0.013 0.1414
Entamoeba histolytica acyl-coA synthetase, putative 0.0074 0.0785 0.6954
Trichomonas vaginalis D-aminoacylase, putative 0.0035 0.0302 0.0993
Schistosoma mansoni ran 0.0024 0.0161 0.0283
Echinococcus multilocularis histone acetyltransferase MYST2 0.0053 0.0528 0.0528
Loa Loa (eye worm) hypothetical protein 0.0182 0.2153 0.4998
Loa Loa (eye worm) MBCTL1 0.0053 0.0528 0.1132
Schistosoma mansoni family S12 unassigned peptidase (S12 family) 0.0035 0.0302 0.053
Brugia malayi Muscleblind-like protein 0.0149 0.1732 0.696
Loa Loa (eye worm) glutathione reductase 0.0038 0.0333 0.0668
Schistosoma mansoni Guanine nucleotide-binding protein G(s) subunit alpha (Adenylate cyclase-stimulating G alpha protein) 0.0046 0.0432 0.0757
Onchocerca volvulus 0.0074 0.0785 0.2419
Loa Loa (eye worm) hypothetical protein 0.0149 0.1732 0.3995
Brugia malayi GTP-binding nuclear protein RAN/TC4 0.0024 0.0161 0.0565
Schistosoma mansoni histone-lysine n-methyltransferase setb1 0.0031 0.0248 0.0436
Echinococcus multilocularis muscleblind protein 1 0.0149 0.1732 0.1732
Toxoplasma gondii GTP-binding nuclear protein ran/tc4 0.0024 0.0161 0.1039
Giardia lamblia GTP-binding nuclear protein RAN/TC4 0.0024 0.0161 1
Brugia malayi AMP-binding enzyme family protein 0.0074 0.0785 0.3107
Schistosoma mansoni Guanine nucleotide-binding protein G(s) subunit alpha (Adenylate cyclase-stimulating G alpha protein) 0.0046 0.0432 0.0757
Loa Loa (eye worm) abnormal chemotaxis protein 14 0.0041 0.0379 0.0779
Trichomonas vaginalis chromodomain helicase DNA binding protein, putative 0.0014 0.0033 0.0035
Loa Loa (eye worm) hypothetical protein 0.0074 0.0785 0.1745
Plasmodium vivax hypothetical protein, conserved 0.0035 0.0302 0.5291
Trichomonas vaginalis Importin beta-1 subunit, putative 0.0027 0.0192 0.0603
Mycobacterium tuberculosis Possible penicillin-binding protein 0.0226 0.2695 0.7966
Loa Loa (eye worm) hypothetical protein 0.0041 0.0379 0.0779
Loa Loa (eye worm) AMP-binding enzyme family protein 0.0022 0.013 0.0187
Echinococcus granulosus histone lysine N methyltransferase MLL3 0.0016 0.0063 0.0111
Entamoeba histolytica acyl-CoA synthetase, putative 0.0074 0.0785 0.6954
Mycobacterium tuberculosis Probable esterase LipL 0.0035 0.0302 0.0833
Trichomonas vaginalis D-aminoacylase, putative 0.0035 0.0302 0.0993
Trypanosoma brucei PAB1-binding protein , putative 0.0025 0.0174 0.4894
Toxoplasma gondii LsmAD domain-containing protein 0.0025 0.0174 0.1135
Loa Loa (eye worm) GTP-binding regulatory protein Gs alpha-S chain 0.0046 0.0432 0.0904
Mycobacterium leprae Probable lipase LipE 0.0035 0.0302 0.1846
Trichomonas vaginalis chromodomain helicase DNA binding protein, putative 0.0014 0.0033 0.0035
Brugia malayi GTP-binding regulatory protein Gs alpha-S chain, putative 0.0046 0.0432 0.1667
Schistosoma mansoni cpg binding protein 0.0067 0.0695 0.1219
Schistosoma mansoni hypothetical protein 0.004 0.036 0.0632
Echinococcus multilocularis mixed lineage leukemia protein mll 0.0016 0.0063 0.0063
Mycobacterium tuberculosis Conserved protein 0.0035 0.0302 0.0833
Mycobacterium tuberculosis Dihydrolipoamide dehydrogenase LpdC (lipoamide reductase (NADH)) (lipoyl dehydrogenase) (dihydrolipoyl dehydrogenase) (diaphoras 0.0096 0.1061 0.3096
Echinococcus granulosus fetal alzheimer antigen falz 0.0026 0.018 0.0316
Mycobacterium ulcerans long-chain-fatty-acid--CoA ligase 0.0022 0.013 0.1414
Schistosoma mansoni Guanine nucleotide-binding protein G(s) subunit alpha (Adenylate cyclase-stimulating G alpha protein) 0.0046 0.0432 0.0757
Loa Loa (eye worm) hypothetical protein 0.0148 0.1719 0.3965
Echinococcus multilocularis expressed conserved protein 0.0091 0.0999 0.0999
Trypanosoma cruzi PAB1-binding protein , putative 0.0025 0.0174 0.4894
Brugia malayi CHE-14 protein 0.0041 0.0379 0.1452
Mycobacterium tuberculosis Probable membrane NADH dehydrogenase NdhA 0.0086 0.094 0.2736
Echinococcus multilocularis isocitrate dehydrogenase 2 (NADP+) 0.0016 0.0056 0.0056
Trichomonas vaginalis chromodomain-helicase-DNA-binding protein, putative 0.0014 0.0033 0.0035
Schistosoma mansoni family S12 unassigned peptidase (S12 family) 0.0035 0.0302 0.053
Echinococcus multilocularis bromodomain adjacent to zinc finger domain 0.0062 0.0638 0.0638
Trichomonas vaginalis conserved hypothetical protein 0.0014 0.0033 0.0035
Trichomonas vaginalis chromodomain helicase DNA binding protein, putative 0.0014 0.0033 0.0035
Echinococcus granulosus geminin 0.0359 0.4369 0.7662
Leishmania major acetyl-CoA synthetase, putative 0.0022 0.013 0.1414
Trichomonas vaginalis antibiotic synthetase, putative 0.0022 0.013 0.0383
Toxoplasma gondii thioredoxin reductase 0.0038 0.0333 0.232
Toxoplasma gondii ABC1 family protein 0.0035 0.0302 0.2092
Loa Loa (eye worm) PHD-finger family protein 0.002 0.0113 0.0144
Plasmodium falciparum glutathione reductase 0.0038 0.0333 0.5867
Echinococcus granulosus zinc finger protein 0.0023 0.0143 0.0252
Echinococcus granulosus beta LACTamase domain containing family member 0.0035 0.0302 0.053
Onchocerca volvulus 0.0237 0.2838 1
Wolbachia endosymbiont of Brugia malayi dihydrolipoamide dehydrogenase E3 component 0.0013 0.0023 0.5
Mycobacterium ulcerans O-succinylbenzoic acid--CoA ligase 0.0022 0.013 0.1414
Trypanosoma cruzi GTP-binding nuclear protein rtb2, putative 0.0024 0.0161 0.4477
Entamoeba histolytica acyl-CoA synthetase, putative 0.0074 0.0785 0.6954
Mycobacterium ulcerans acyl-CoA synthetase 0.0022 0.013 0.1414
Trichomonas vaginalis importin beta-1, putative 0.0027 0.0192 0.0603
Mycobacterium tuberculosis Probable isocitrate dehydrogenase [NADP] Icd1 (oxalosuccinate decarboxylase) (IDH) (NADP+-specific ICDH) (IDP) 0.0016 0.0056 0.0099
Echinococcus granulosus expressed conserved protein 0.0091 0.0999 0.1752
Echinococcus granulosus dnaJ subfamily B 0.0465 0.5702 1
Mycobacterium ulcerans acyl-CoA synthetase 0.0074 0.0785 1
Loa Loa (eye worm) hypothetical protein 0.0035 0.0302 0.0595
Echinococcus granulosus dihydrolipoamide dehydrogenase 0.0013 0.0023 0.004
Loa Loa (eye worm) hypothetical protein 0.0035 0.0302 0.0595
Loa Loa (eye worm) hypothetical protein 0.0055 0.0551 0.1187
Loa Loa (eye worm) hypothetical protein 0.0047 0.0446 0.0938
Schistosoma mansoni histone-lysine n-methyltransferase setb1 0.0048 0.0459 0.0804
Trypanosoma cruzi long-chain-fatty-acid-CoA ligase, putative 0.0022 0.013 0.3479
Plasmodium vivax isocitrate dehydrogenase [NADP], mitochondrial, putative 0.0016 0.0056 0.0628
Mycobacterium ulcerans non-ribosomal peptide synthetase MbtE 0.0022 0.013 0.1414
Loa Loa (eye worm) hypothetical protein 0.0038 0.0331 0.0665
Trypanosoma cruzi acetyl-CoA synthetase, putative 0.0022 0.013 0.3479
Loa Loa (eye worm) hypothetical protein 0.0074 0.0785 0.1745
Echinococcus multilocularis iron:zinc purple acid phosphatase protein 0.0016 0.0062 0.0062
Plasmodium falciparum ataxin-2 like protein, putative 0.0025 0.0174 0.2871
Mycobacterium tuberculosis Probable reductase 0.0086 0.094 0.2736
Mycobacterium tuberculosis Probable dehydrogenase 0.0086 0.094 0.2736
Brugia malayi beta-lactamase 0.0035 0.0302 0.1139
Mycobacterium tuberculosis Probable fatty-acid-CoA ligase FadD5 (fatty-acid-CoA synthetase) (fatty-acid-CoA synthase) 0.0052 0.0513 0.1462
Loa Loa (eye worm) pre-SET domain-containing protein family protein 0.0208 0.2478 0.5771
Echinococcus multilocularis suppression of tumorigenicity 18 protein 0.0053 0.0528 0.0528
Leishmania major importin beta-1 subunit, putative 0.0027 0.0192 0.2224
Mycobacterium tuberculosis Probable oxidoreductase 0.0096 0.1061 0.3096
Mycobacterium ulcerans fatty-acid-CoA ligase 0.0055 0.0551 0.6927
Mycobacterium tuberculosis Peptide synthetase MbtF (peptide synthase) 0.0022 0.013 0.0321
Trichomonas vaginalis set domain proteins, putative 0.0237 0.2838 1
Echinococcus granulosus SAM and MBT domain containing protein 0.0047 0.0446 0.0783
Onchocerca volvulus 0.0035 0.0302 0.0634
Toxoplasma gondii Acetyl-coenzyme A synthetase 2, putative 0.0022 0.013 0.0807
Leishmania major isocitrate dehydrogenase [NADP], mitochondrial precursor, putative 0.0016 0.0056 0.0435
Leishmania major GTP-binding protein, putative 0.0024 0.0161 0.1819
Entamoeba histolytica Ran family GTPase 0.0024 0.0161 0.0329
Echinococcus granulosus Niemann Pick C1 protein 0.0138 0.1593 0.2794
Echinococcus granulosus NADP dependent isocitrate dehydrogenase 0.0016 0.0056 0.0098
Brugia malayi RNA, U transporter 1 0.0093 0.103 0.4101
Leishmania major 4-coumarate:coa ligase-like protein 0.0074 0.0785 1
Trichomonas vaginalis ran, putative 0.0024 0.0161 0.0493
Echinococcus multilocularis GTP binding nuclear protein Ran 0.0024 0.0161 0.0161
Trypanosoma brucei isocitrate dehydrogenase [NADP], mitochondrial precursor, putative 0.0016 0.0056 0.1071
Mycobacterium tuberculosis PROBABLE FATTY-ACID-CoA LIGASE FADD18 (FRAGMENT) (FATTY-ACID-CoA SYNTHETASE) (FATTY-ACID-CoA SYNTHASE) 0.0019 0.0093 0.0209
Loa Loa (eye worm) GTP-binding nuclear protein RAN/TC4 0.0024 0.0161 0.026
Loa Loa (eye worm) beta-LACTamase domain containing family member 0.0035 0.0302 0.0595
Echinococcus multilocularis dnaJ subfamily B 0.0465 0.5702 0.5702
Brugia malayi hypothetical protein 0.0148 0.1719 0.6908
Mycobacterium tuberculosis Probable fatty-acid-CoA ligase FadD8 (fatty-acid-CoA synthetase) (fatty-acid-CoA synthase) 0.0022 0.013 0.0321
Loa Loa (eye worm) CXXC zinc finger family protein 0.0061 0.0628 0.137
Mycobacterium tuberculosis Conserved protein 0.0035 0.0302 0.0833
Trichomonas vaginalis chromodomain helicase DNA binding protein, putative 0.0014 0.0033 0.0035
Schistosoma mansoni bromodomain containing protein 0.0066 0.0682 0.1197
Echinococcus multilocularis zinc finger protein 0.0023 0.0143 0.0143
Mycobacterium tuberculosis Probable lipase LipD 0.0035 0.0302 0.0833
Echinococcus multilocularis histone lysine N methyltransferase MLL3 0.002 0.011 0.011
Brugia malayi AMP-binding enzyme family protein 0.0022 0.013 0.0439
Trichomonas vaginalis penicillin-binding protein, putative 0.0035 0.0302 0.0993
Echinococcus multilocularis NADP dependent isocitrate dehydrogenase 0.0016 0.0056 0.0056
Onchocerca volvulus 0.0061 0.0628 0.1837
Trypanosoma cruzi hypothetical protein, conserved 0.0035 0.0302 0.9019
Brugia malayi isocitrate dehydrogenase 0.0016 0.0056 0.0135
Loa Loa (eye worm) isocitrate dehydrogenase 0.0016 0.0056 0.0009
Mycobacterium ulcerans fatty-acid-CoA ligase 0.0074 0.0785 1
Trichomonas vaginalis conserved hypothetical protein 0.0014 0.0033 0.0035
Mycobacterium tuberculosis Possible fatty-acid-CoA ligase FadD1 (fatty-acid-CoA synthetase) (fatty-acid-CoA synthase) 0.0022 0.013 0.0321
Schistosoma mansoni hypothetical protein 0.0015 0.0047 0.0082
Brugia malayi mbt repeat family protein 0.0047 0.0446 0.1726
Echinococcus granulosus Protein patched homolog 1 0.0041 0.0379 0.0665
Schistosoma mansoni cpg binding protein 0.0067 0.0695 0.1219
Loa Loa (eye worm) hypothetical protein 0.0053 0.0528 0.1132
Echinococcus granulosus bromodomain adjacent to zinc finger domain 0.0062 0.0638 0.1119
Treponema pallidum NADH oxidase 0.0013 0.0023 0.5
Echinococcus granulosus snurportin 1 0.035 0.4256 0.7464
Onchocerca volvulus Huntingtin homolog 0.0148 0.1719 0.5867
Brugia malayi Niemann-Pick C1 protein precursor 0.0097 0.1072 0.4275
Mycobacterium tuberculosis Possible fatty-acid-CoA ligase FadD10 (fatty-acid-CoA synthetase) (fatty-acid-CoA synthase) 0.0022 0.013 0.0321
Loa Loa (eye worm) hypothetical protein 0.0022 0.013 0.0187
Mycobacterium tuberculosis Probable fatty-acid-CoA ligase FadD2 (fatty-acid-CoA synthetase) (fatty-acid-CoA synthase) 0.0074 0.0785 0.2274
Mycobacterium tuberculosis Possible conserved lipoprotein LpqK 0.0035 0.0302 0.0833
Trichomonas vaginalis Importin beta-1 subunit, putative 0.0027 0.0192 0.0603
Schistosoma mansoni myelin transcription factor 1 myt1 0.0053 0.0528 0.0926
Plasmodium vivax GTP-binding nuclear protein RAN/TC4, putative 0.0024 0.0161 0.2627
Loa Loa (eye worm) hypothetical protein 0.0055 0.0551 0.1187
Brugia malayi hypothetical protein 0.0025 0.0174 0.0618
Schistosoma mansoni sex comb on midleg homolog 0.0047 0.0446 0.0783
Loa Loa (eye worm) hypothetical protein 0.0149 0.1732 0.3995
Echinococcus granulosus guanine nucleotide binding protein Gs subunit 0.0046 0.0432 0.0757
Trypanosoma brucei importin beta-1 subunit, putative 0.0033 0.027 0.7985
Brugia malayi hypothetical protein 0.0016 0.0062 0.0162
Echinococcus granulosus bromodomain adjacent to zinc finger domain 0.0035 0.0301 0.0528
Entamoeba histolytica hypothetical protein 0.0027 0.0192 0.0656
Echinococcus granulosus polycomb protein SCMH1 0.0047 0.0446 0.0783
Trypanosoma cruzi isocitrate dehydrogenase, putative 0.0016 0.0056 0.1071
Mycobacterium tuberculosis Peptide synthetase MbtE (peptide synthase) 0.0022 0.013 0.0321
Trichomonas vaginalis D-aminoacylase, putative 0.0035 0.0302 0.0993
Mycobacterium tuberculosis NAD(P)H quinone reductase LpdA 0.0096 0.1061 0.3096
Trypanosoma brucei ISWI complex protein 0.0015 0.0047 0.0783
Schistosoma mansoni hypothetical protein 0.0465 0.5702 1
Mycobacterium tuberculosis Probable esterase/lipase LipP 0.0035 0.0302 0.0833
Schistosoma mansoni hypothetical protein 0.004 0.036 0.0632
Mycobacterium ulcerans acyl-CoA synthetase 0.0074 0.0785 1
Echinococcus multilocularis protein dispatched 1 0.0047 0.0453 0.0453
Trichomonas vaginalis helicase, putative 0.0014 0.0033 0.0035
Loa Loa (eye worm) hypothetical protein 0.0035 0.0302 0.0595
Echinococcus granulosus histone lysine methyltransferase setb 0.0048 0.0459 0.0804
Schistosoma mansoni zinc finger protein 0.0015 0.0047 0.0082
Onchocerca volvulus 0.0035 0.0302 0.0634
Schistosoma mansoni acid phosphatase-related 0.0016 0.0062 0.0108
Mycobacterium leprae DIHYDROLIPOAMIDE DEHYDROGENASE LPD (LIPOAMIDE REDUCTASE (NADH)) (LIPOYL DEHYDROGENASE) (DIHYDROLIPOYL DEHYDROGENASE) (DIAPHORASE 0.0096 0.1061 1
Trichomonas vaginalis chromodomain helicase DNA binding protein, putative 0.0014 0.0033 0.0035
Loa Loa (eye worm) hypothetical protein 0.0035 0.0302 0.0595
Loa Loa (eye worm) nucleolar RNA-associated protein alpha 0.035 0.4256 1
Loa Loa (eye worm) hypothetical protein 0.0097 0.1072 0.2427
Echinococcus granulosus cpg binding protein 0.0067 0.0695 0.1219
Mycobacterium tuberculosis Probable lipase LipE 0.0035 0.0302 0.0833
Plasmodium vivax acetyl-CoA synthetase, putative 0.0022 0.013 0.2041
Trypanosoma cruzi PAB1-binding protein , putative 0.0025 0.0174 0.4894
Loa Loa (eye worm) hypothetical protein 0.0025 0.0174 0.0291
Echinococcus multilocularis muscleblind protein 0.0149 0.1732 0.1732
Brugia malayi F/Y-rich N-terminus family protein 0.0022 0.0131 0.044
Onchocerca volvulus Polycomb protein Sfmbt homolog 0.0047 0.0446 0.1167
Leishmania major acetyl-CoA synthetase, putative 0.0022 0.013 0.1414
Schistosoma mansoni scm-relatedprotein containing 4 mbt domains (sfmbt) 0.0047 0.0446 0.0783
Mycobacterium tuberculosis Probable hydrolase 0.0035 0.0302 0.0833
Loa Loa (eye worm) AMP-binding enzyme family protein 0.0022 0.013 0.0187
Trypanosoma cruzi GTP-binding nuclear protein rtb2, putative 0.0024 0.0161 0.4477
Brugia malayi oxidoreductase, short chain dehydrogenase/reductase family protein 0.0022 0.013 0.0439
Trichomonas vaginalis esterase, putative 0.0035 0.0302 0.0993
Echinococcus multilocularis importin subunit beta 1 0.0033 0.027 0.027
Loa Loa (eye worm) hypothetical protein 0.0055 0.0551 0.1187
Echinococcus granulosus GTP binding nuclear protein Ran 0.0024 0.0161 0.0283
Brugia malayi beta-lactamase family protein 0.0035 0.0302 0.1139
Entamoeba histolytica Niemann-Pick C1 protein, putative 0.0097 0.1072 1
Mycobacterium tuberculosis Probable chain -fatty-acid-CoA ligase FadD13 (fatty-acyl-CoA synthetase) 0.0074 0.0785 0.2274
Echinococcus multilocularis guanine nucleotide binding protein G(s) subunit 0.0046 0.0432 0.0432
Brugia malayi AMP-binding enzyme family protein 0.0074 0.0785 0.3107
Plasmodium vivax SET domain protein, putative 0.0031 0.0248 0.4273
Echinococcus granulosus importin subunit beta 1 0.0033 0.027 0.0474
Toxoplasma gondii histone lysine methyltransferase SET/SUV39 0.0031 0.0248 0.1689
Echinococcus multilocularis beta LACTamase domain containing family member 0.0035 0.0302 0.0302
Brugia malayi AMP-binding enzyme family protein 0.0022 0.013 0.0439
Echinococcus multilocularis sterol regulatory element binding protein 0.0041 0.0379 0.0379
Toxoplasma gondii AMP-binding enzyme domain-containing protein 0.0022 0.013 0.0807
Schistosoma mansoni cpg binding protein 0.0061 0.0628 0.1101
Brugia malayi hypothetical protein 0.0182 0.2153 0.8677
Brugia malayi AMP-binding enzyme family protein 0.0074 0.0785 0.3107
Toxoplasma gondii isocitrate dehydrogenase 0.0016 0.0056 0.0248
Echinococcus multilocularis thioredoxin glutathione reductase 0.0038 0.0339 0.0339
Mycobacterium tuberculosis Probable conserved lipoprotein 0.0035 0.0302 0.0833
Brugia malayi Hypothetical 52.5 kDa protein ZK945.1 in chromosome II, putative 0.0035 0.0302 0.1139
Echinococcus granulosus 5'partial|histone lysine N methyltransferase SETDB2 0.0029 0.0218 0.0382
Brugia malayi Thioredoxin reductase 0.0038 0.0333 0.1263
Toxoplasma gondii HEAT repeat-containing protein 0.0033 0.027 0.1852
Echinococcus multilocularis methyl CpG binding domain protein 2 0.0017 0.0069 0.0069
Brugia malayi glutathione reductase 0.0038 0.0333 0.1263
Echinococcus granulosus histone acetyltransferase MYST2 0.0053 0.0528 0.0926
Brugia malayi Bromodomain containing protein 0.0038 0.033 0.1254
Trichomonas vaginalis conserved hypothetical protein 0.0014 0.0033 0.0035
Plasmodium falciparum importin beta, putative 0.0033 0.027 0.4685
Echinococcus multilocularis histone lysine methyltransferase setb histone lysine methyltransferase eggless 0.0048 0.0459 0.0459
Mycobacterium ulcerans beta-lactamase 0.0035 0.0302 0.3665
Echinococcus multilocularis bromodomain adjacent to zinc finger domain 0.0035 0.0301 0.0301
Mycobacterium ulcerans acyl-CoA synthetase 0.0022 0.013 0.1414
Echinococcus multilocularis Niemann Pick C1 protein 0.0097 0.1072 0.1072
Trypanosoma brucei importin beta-1 subunit, putative 0.0033 0.027 0.7985
Mycobacterium tuberculosis Conserved protein 0.0035 0.0302 0.0833
Mycobacterium tuberculosis Fatty-acid-CoA synthetase FadD17 (fatty-acid-CoA synthase) (fatty-acid-CoA ligase) 0.0022 0.013 0.0321
Mycobacterium ulcerans fusion of enoyl-CoA hydratase, EchA21 and lipase, LipE 0.0035 0.0302 0.3665
Schistosoma mansoni zinc finger protein 0.0023 0.0143 0.0252
Toxoplasma gondii histone lysine methyltransferase SET1 0.0119 0.1359 1
Echinococcus granulosus endonuclease exonuclease phosphatase 0.0184 0.2176 0.3817
Echinococcus granulosus suppression of tumorigenicity 18 protein 0.0053 0.0528 0.0926
Schistosoma mansoni NADP-specific isocitrate dehydrogenase 0.0016 0.0056 0.0098
Echinococcus multilocularis NADP dependent isocitrate dehydrogenase 0.0016 0.0056 0.0056
Echinococcus multilocularis isocitrate dehydrogenase 0.0016 0.0056 0.0056
Loa Loa (eye worm) mbt repeat family protein 0.0047 0.0446 0.0938
Trichomonas vaginalis conserved hypothetical protein 0.0014 0.0033 0.0035
Plasmodium falciparum acetyl-CoA synthetase, putative 0.0022 0.013 0.2041
Plasmodium vivax acyl-CoA synthetase, putative 0.0055 0.0551 1
Plasmodium vivax glutathione reductase, putative 0.0038 0.0333 0.5867
Trypanosoma cruzi hypothetical protein, conserved 0.0035 0.0302 0.9019
Brugia malayi CXXC zinc finger family protein 0.0061 0.0628 0.2464
Echinococcus multilocularis cpg binding protein 0.0067 0.0695 0.0695
Brugia malayi Pre-SET motif family protein 0.0208 0.2478 1
Schistosoma mansoni hypothetical protein 0.035 0.4256 0.7464
Mycobacterium ulcerans hypothetical protein 0.0074 0.0785 1
Brugia malayi acid phosphatase 0.0016 0.0062 0.0159
Trypanosoma cruzi ISWI complex protein 0.0015 0.0047 0.0783
Mycobacterium tuberculosis NADPH-dependent mycothiol reductase Mtr 0.0038 0.0333 0.0924

Activities

Activity type Activity value Assay description Source Reference
EC50 (functional) > 79.37 um PUBCHEM_BIOASSAY: Dose response biochemical High Throughput Screening assay for agonists of the steroid receptor coactivator 1 (SRC-1) recruitment by the peroxisome proliferator-activated receptor gamma (PPARgamma). (Class of assay: confirmatory) [Related pubchem assays: 631, 731, 1032, 1300 ] ChEMBL. No reference
EC50 (functional) > 79.37 um PUBCHEM_BIOASSAY: Dose response biochemical High Throughput Screening assay for agonists of the steroid receptor coactivator 2 (SRC-2) recruitment by the peroxisome proliferator-activated receptor gamma (PPARgamma). (Class of assay: confirmatory) [Related pubchem assays: 1032, 631, 731 ] ChEMBL. No reference
EC50 (functional) > 79.37 um PUBCHEM_BIOASSAY: Dose response biochemical High Throughput Screening assay for agonists of the steroid receptor coactivator 3 (SRC-3) recruitment by the peroxisome proliferator-activated receptor gamma (PPARgamma). (Class of assay: confirmatory) [Related pubchem assays: 1032, 631, 731 ] ChEMBL. No reference
Potency (functional) = 0.5012 um PUBCHEM_BIOASSAY: qHTS Multiplex Assay to Identify Dual Action Probes in a Cell Model of Huntington: Aggregate Formation (GFP). (Class of assay: confirmatory) [Related pubchem assays: 1482, 1471 ] ChEMBL. No reference
Potency (functional) 3.1623 uM PUBCHEM_BIOASSAY: qHTS for Inhibitors of Vif-A3F Interactions: qHTS. (Class of assay: confirmatory) ChEMBL. No reference
Potency (functional) 11.2202 uM PUBCHEM_BIOASSAY: qHTS for Inhibitors of binding or entry into cells for Lassa Virus. (Class of assay: confirmatory) [Related pubchem assays (depositor defined):AID463114, AID540249] ChEMBL. No reference
Potency (functional) 20.5962 uM PUBCHEM_BIOASSAY: Nrf2 qHTS screen for inhibitors. (Class of assay: confirmatory) [Related pubchem assays (depositor defined):AID493153, AID493163, AID504648] ChEMBL. No reference
Potency (functional) 25.929 uM PubChem BioAssay. A quantitative high throughput screen for small molecules that induce DNA re-replication in SW480 colon adenocarcinoma cells. (Class of assay: confirmatory) ChEMBL. No reference

Phenotypes

Whole-cell/tissue/organism interactions

Species name Source Reference Is orphan
Homo sapiens ChEMBL23

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

No literature references available for this target.

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