Detailed information for compound 1735226

Basic information

Technical information
  • Name: Unnamed compound
  • MW: 446.334 | Formula: C17H21BrFN3O3S
  • H donors: 2 H acceptors: 3 LogP: 3.9 Rotable bonds: 10
    Rule of 5 violations (Lipinski): 1
  • SMILES: BrCCOC(=O)N[C@H](C(=O)N[C@@H](c1nc2c(s1)cc(cc2)F)C)C(C)C
  • InChi: 1S/C17H21BrFN3O3S/c1-9(2)14(22-17(24)25-7-6-18)15(23)20-10(3)16-21-12-5-4-11(19)8-13(12)26-16/h4-5,8-10,14H,6-7H2,1-3H3,(H,20,23)(H,22,24)/t10-,14+/m1/s1
  • InChiKey: DWSDARLZBKTYED-YGRLFVJLSA-N  


Substructure search Similarity search

Network

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Synonyms

No synonyms found for this compound

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
Brugia malayi Serine/threonine-protein kinase SULU 0.0387 0.2738 1
Schistosoma mansoni nuclear hormone receptor nor-1/nor-2 0.002 0.0031 0.0027
Brugia malayi latrophilin 2 splice variant baaae 0.0101 0.0625 0.2281
Brugia malayi Steroid receptor seven-up type 2 0.002 0.0031 0.0113
Schistosoma mansoni niemann-pick C1 (NPC1) 0.0101 0.0626 0.0623
Brugia malayi AMP-binding enzyme family protein 0.0027 0.0084 0.0305
Loa Loa (eye worm) hypothetical protein 0.007 0.0396 0.1351
Mycobacterium ulcerans hypothetical protein 0.0093 0.0571 0.2076
Trypanosoma brucei protein kinase, putative 0.0094 0.0578 1
Mycobacterium ulcerans acyl-CoA synthetase 0.0093 0.0571 0.2076
Mycobacterium tuberculosis Possible fatty-acid-CoA ligase FadD10 (fatty-acid-CoA synthetase) (fatty-acid-CoA synthase) 0.0027 0.0084 0.0119
Trichomonas vaginalis pyruvate kinase, putative 0.0032 0.0121 0.0249
Echinococcus multilocularis COUP TF:Svp nuclear hormone receptor 0.002 0.0031 0.0027
Onchocerca volvulus 0.0094 0.0578 0.3546
Brugia malayi Nuclear hormone receptor family member nhr-49 0.002 0.0031 0.0113
Toxoplasma gondii LsmAD domain-containing protein 0.0025 0.0065 0.1066
Echinococcus granulosus Basic leucine zipper bZIP transcription 0.0036 0.0144 0.014
Echinococcus granulosus GPCR family 2 0.0047 0.0225 0.0221
Trypanosoma cruzi acetyl-CoA synthetase, putative 0.0027 0.0084 0.0358
Echinococcus multilocularis geminin 0.0329 0.231 0.2306
Entamoeba histolytica hypothetical protein 0.0036 0.0144 0.1689
Entamoeba histolytica protein kinase domain containing protein 0.0094 0.0578 0.9352
Echinococcus multilocularis cadherin EGF LAG seven pass G type receptor 0.0047 0.0225 0.0221
Brugia malayi Nuclear hormone receptor family member nhr-31 0.002 0.0031 0.0113
Loa Loa (eye worm) hypothetical protein 0.0027 0.0084 0.0195
Mycobacterium tuberculosis Probable peptide synthetase Nrp (peptide synthase) 0.0027 0.0084 0.0119
Brugia malayi AMP-binding enzyme family protein 0.0093 0.0571 0.2085
Mycobacterium tuberculosis Bifunctional enzyme MbtA: salicyl-AMP ligase (SAL-AMP ligase) + salicyl-S-ArCP synthetase 0.0027 0.0084 0.0119
Loa Loa (eye worm) pyruvate kinase 0.0032 0.0121 0.0332
Mycobacterium tuberculosis Probable fatty-acid-CoA ligase FadD35 (fatty-acid-CoA synthetase) (fatty-acid-CoA synthase) 0.0066 0.0368 0.1318
Onchocerca volvulus 0.0027 0.0084 0.0342
Mycobacterium leprae PROBABLE FATTY-ACID-CoA LIGASE FADD7 (FATTY-ACID-CoA SYNTHETASE) (FATTY-ACID-CoA SYNTHASE) 0.0093 0.0571 0.2076
Brugia malayi Ligand-binding domain of nuclear hormone receptor family protein 0.002 0.0031 0.0113
Mycobacterium tuberculosis Probable fatty-acid-CoA ligase FadD5 (fatty-acid-CoA synthetase) (fatty-acid-CoA synthase) 0.0066 0.0368 0.1318
Schistosoma mansoni Guanine nucleotide-binding protein G(s) subunit alpha (Adenylate cyclase-stimulating G alpha protein) 0.0045 0.0215 0.0211
Echinococcus granulosus ecdysone induced protein 78C 0.002 0.0031 0.0027
Echinococcus multilocularis pyruvate kinase 0.0032 0.0121 0.0117
Loa Loa (eye worm) pyruvate kinase-PB 0.0023 0.0048 0.0064
Leishmania major glycogen synthase kinase, putative;with=GeneDB:LinJ18_V3.0270 0.0094 0.0578 1
Echinococcus granulosus survival motor neuron protein 1 0.023 0.1579 0.1576
Trypanosoma cruzi long-chain-fatty-acid-CoA ligase, putative 0.0027 0.0084 0.0358
Brugia malayi AMP-binding enzyme family protein 0.0093 0.0571 0.2085
Schistosoma mansoni retinoid-x-receptor (RXR) 0.002 0.0031 0.0027
Echinococcus multilocularis pyruvate kinase 0.0032 0.0121 0.0117
Mycobacterium tuberculosis Probable chain -fatty-acid-CoA ligase FadD13 (fatty-acyl-CoA synthetase) 0.0093 0.0571 0.217
Mycobacterium tuberculosis ATP phosphoribosyltransferase HisG 0.0345 0.243 1
Trypanosoma cruzi acetyl-CoA synthetase, putative 0.0027 0.0084 0.0358
Loa Loa (eye worm) hypothetical protein 0.007 0.0396 0.1351
Schistosoma mansoni hypothetical protein 0.0041 0.0185 0.0181
Brugia malayi Corticotropin releasing factor receptor 2 precursor, putative 0.0147 0.0969 0.3538
Brugia malayi nuclear hormone receptor 0.002 0.0031 0.0113
Brugia malayi hypothetical protein 0.0387 0.2738 1
Leishmania major 4-coumarate:coa ligase-like protein 0.0093 0.0571 0.9855
Mycobacterium ulcerans fatty-acid-CoA ligase 0.007 0.0396 0.1333
Entamoeba histolytica protein kinase, putative 0.0094 0.0578 0.9352
Schistosoma mansoni hypothetical protein 0.0329 0.231 0.2306
Toxoplasma gondii AMP-binding enzyme domain-containing protein 0.0027 0.0084 0.1385
Mycobacterium tuberculosis Peptide synthetase MbtF (peptide synthase) 0.0027 0.0084 0.0119
Echinococcus granulosus pyruvate kinase 0.0032 0.0121 0.0117
Loa Loa (eye worm) hypothetical protein 0.0043 0.0196 0.061
Loa Loa (eye worm) hypothetical protein 0.0023 0.0048 0.0064
Mycobacterium tuberculosis Possible fatty-acid-CoA ligase FadD1 (fatty-acid-CoA synthetase) (fatty-acid-CoA synthase) 0.0027 0.0084 0.0119
Loa Loa (eye worm) CMGC/GSK protein kinase 0.0094 0.0578 0.2022
Brugia malayi steroid hormone receptor 0.002 0.0031 0.0113
Loa Loa (eye worm) pyruvate kinase 0.0032 0.0121 0.0332
Toxoplasma gondii cell-cycle-associated protein kinase GSK, putative 0.0094 0.0578 1
Loa Loa (eye worm) hypothetical protein 0.0093 0.0571 0.1995
Schistosoma mansoni acetyl-CoA synthetase 0.0027 0.0084 0.008
Mycobacterium leprae PROBABLE FATTY-ACID-CoA LIGASE FADD2 (FATTY-ACID-CoA SYNTHETASE) (FATTY-ACID-CoA SYNTHASE) 0.0093 0.0571 0.2076
Echinococcus granulosus FTZ F1 alpha 0.002 0.0031 0.0027
Brugia malayi hypothetical protein 0.0036 0.0144 0.0526
Brugia malayi Nuclear hormone receptor family member nhr-1 0.002 0.0031 0.0113
Brugia malayi Nuclear hormone receptor family member nhr-25 0.002 0.0031 0.0113
Echinococcus multilocularis guanine nucleotide binding protein G(s) subunit 0.0045 0.0215 0.0211
Schistosoma mansoni serine/threonine protein kinase 0.0387 0.2738 0.2735
Loa Loa (eye worm) hypothetical protein 0.007 0.0396 0.1351
Echinococcus granulosus serine:threonine protein kinase TAO1 0.0387 0.2738 0.2735
Brugia malayi Pyruvate kinase, M2 isozyme 0.0032 0.0121 0.0441
Mycobacterium tuberculosis Probable fatty-acid-CoA ligase FadD8 (fatty-acid-CoA synthetase) (fatty-acid-CoA synthase) 0.0027 0.0084 0.0119
Plasmodium falciparum pyruvate kinase 0.0032 0.0121 0.2031
Loa Loa (eye worm) pyruvate kinase 0.0032 0.0121 0.0332
Leishmania major acetyl-CoA synthetase, putative 0.0027 0.0084 0.0358
Plasmodium vivax glycogen synthase kinase 3, putative 0.0094 0.0578 1
Entamoeba histolytica long-chain-fatty-acid--CoA ligase, putative 0.0027 0.0084 0.0625
Loa Loa (eye worm) oxidoreductase 0.0027 0.0084 0.0195
Echinococcus multilocularis sterol regulatory element binding protein 0.0043 0.0196 0.0192
Echinococcus granulosus glycogen synthase kinase 3 beta 0.0094 0.0578 0.0574
Onchocerca volvulus 0.0229 0.1575 1
Onchocerca volvulus 0.0027 0.0084 0.0342
Schistosoma mansoni hypothetical protein 0.0047 0.0225 0.0221
Echinococcus multilocularis nuclear receptor 2DBD gamma 0.002 0.0031 0.0027
Loa Loa (eye worm) STE/STE20/TAO protein kinase 0.0387 0.2738 1
Onchocerca volvulus Pyruvate kinase homolog 0.0032 0.0121 0.0582
Mycobacterium tuberculosis Fatty-acid-CoA synthetase FadD17 (fatty-acid-CoA synthase) (fatty-acid-CoA ligase) 0.0027 0.0084 0.0119
Trichomonas vaginalis CMGC family protein kinase 0.0094 0.0578 0.3318
Echinococcus granulosus guanine nucleotide binding protein Gs subunit 0.0045 0.0215 0.0211
Schistosoma mansoni hypothetical protein 0.0041 0.0185 0.0181
Mycobacterium tuberculosis Probable fatty-acid-CoA ligase FadD3 (fatty-acid-CoA synthetase) (fatty-acid-CoA synthase) 0.0066 0.0368 0.1318
Loa Loa (eye worm) CMGC/GSK protein kinase 0.0094 0.0578 0.2022
Brugia malayi intracellular kinase 0.0094 0.0578 0.2112
Schistosoma mansoni hypothetical protein 0.0329 0.231 0.2306
Loa Loa (eye worm) MH2 domain-containing protein 0.012 0.0771 0.2734
Brugia malayi oxidoreductase, short chain dehydrogenase/reductase family protein 0.0027 0.0084 0.0305
Toxoplasma gondii pyruvate kinase PyK1 0.0032 0.0121 0.2031
Schistosoma mansoni Guanine nucleotide-binding protein G(s) subunit alpha (Adenylate cyclase-stimulating G alpha protein) 0.0045 0.0215 0.0211
Brugia malayi Latrophilin receptor protein 2 0.0047 0.0225 0.0823
Schistosoma mansoni nuclear hormone receptor 0.002 0.0031 0.0027
Echinococcus granulosus nuclear receptor 2DBD gamma 0.002 0.0031 0.0027
Echinococcus granulosus histone lysine methyltransferase setb 0.0029 0.0095 0.009
Loa Loa (eye worm) hypothetical protein 0.0099 0.0615 0.2158
Schistosoma mansoni hypothetical protein 0.0047 0.0228 0.0224
Schistosoma mansoni retinoic acid receptor RXR 0.002 0.0031 0.0027
Echinococcus multilocularis acetyl coenzyme A synthetase, cytoplasmic 0.0027 0.0084 0.008
Echinococcus granulosus acetyl coenzyme A synthetase cytoplasmic 0.0027 0.0084 0.008
Mycobacterium ulcerans long-chain fatty-acid CoA ligase 0.0093 0.0571 0.2076
Mycobacterium leprae Probable pyruvate kinase PykA 0.0032 0.0121 0.0158
Trichomonas vaginalis pyruvate kinase, putative 0.0032 0.0121 0.0249
Loa Loa (eye worm) hypothetical protein 0.0097 0.0596 0.2088
Mycobacterium tuberculosis Fatty-acid-AMP ligase FadD30 (fatty-acid-AMP synthetase) (fatty-acid-AMP synthase) 0.007 0.0396 0.1436
Brugia malayi AMP-binding enzyme family protein 0.0093 0.0571 0.2085
Brugia malayi AMP-binding enzyme family protein 0.0027 0.0084 0.0305
Schistosoma mansoni thyroid hormone receptor 0.002 0.0031 0.0027
Schistosoma mansoni glycogen synthase kinase 3-related (gsk3) (cmgc group III) 0.0094 0.0578 0.0574
Loa Loa (eye worm) hypothetical protein 0.007 0.0396 0.1351
Mycobacterium tuberculosis Probable fatty-acid-CoA ligase FadD2 (fatty-acid-CoA synthetase) (fatty-acid-CoA synthase) 0.0093 0.0571 0.217
Echinococcus multilocularis histone lysine methyltransferase setb histone lysine methyltransferase eggless 0.0029 0.0095 0.009
Entamoeba histolytica acyl-CoA synthetase, putative 0.0093 0.0571 0.922
Echinococcus granulosus Niemann Pick C1 protein 0.0099 0.0615 0.0611
Entamoeba histolytica Niemann-Pick C1 protein, putative 0.0099 0.0615 1
Echinococcus multilocularis nuclear receptor 2DBD gamma 0.002 0.0031 0.0027
Trypanosoma cruzi pyruvate kinase 2, putative 0.0032 0.0121 0.108
Trichomonas vaginalis CMGC family protein kinase 0.0094 0.0578 0.3318
Brugia malayi nuclear receptor NHR-88 0.002 0.0031 0.0113
Mycobacterium tuberculosis Peptide synthetase MbtE (peptide synthase) 0.0027 0.0084 0.0119
Echinococcus granulosus protein kinase shaggy 0.0094 0.0578 0.0574
Schistosoma mansoni nuclear receptor 2DBD-gamma 0.002 0.0031 0.0027
Trypanosoma cruzi long-chain-fatty-acid-CoA ligase, putative 0.0027 0.0084 0.0358
Echinococcus granulosus Niemann Pick C1 protein 0.0142 0.093 0.0926
Plasmodium vivax pyruvate kinase, putative 0.0032 0.0121 0.2031
Schistosoma mansoni steroid hormone receptor ad4bp 0.002 0.0031 0.0027
Brugia malayi Ligand-binding domain of nuclear hormone receptor family protein 0.002 0.0031 0.0113
Brugia malayi photoreceptor-specific nuclear receptor 0.002 0.0031 0.0113
Loa Loa (eye worm) latrophilin receptor protein 2 0.0047 0.0225 0.0718
Loa Loa (eye worm) hypothetical protein 0.0047 0.0225 0.0718
Brugia malayi AMP-binding enzyme family protein 0.0027 0.0084 0.0305
Plasmodium vivax acyl-CoA synthetase, putative 0.007 0.0396 0.6834
Toxoplasma gondii Acetyl-coenzyme A synthetase 2, putative 0.0027 0.0084 0.1385
Mycobacterium tuberculosis Probable medium chain fatty-acid-CoA ligase FadD14 (fatty-acid-CoA synthetase) (fatty-acid-CoA synthase) 0.0027 0.0084 0.0119
Leishmania major 4-coumarate:coa ligase-like protein 0.0093 0.0571 0.9855
Plasmodium vivax acetyl-CoA synthetase, putative 0.0027 0.0084 0.1385
Mycobacterium ulcerans acyl-CoA synthetase 0.0093 0.0571 0.2076
Giardia lamblia Kinase, CMGC GSK 0.0094 0.0578 1
Toxoplasma gondii propionate-CoA ligase 0.0027 0.0084 0.1385
Brugia malayi Calcitonin receptor-like protein seb-1 0.0147 0.0969 0.3538
Echinococcus granulosus cadherin EGF LAG seven pass G type receptor 0.0047 0.0225 0.0221
Brugia malayi hypothetical protein 0.023 0.1579 0.5768
Schistosoma mansoni patched 1 0.0043 0.0196 0.0192
Echinococcus granulosus Protein patched homolog 1 0.0043 0.0196 0.0192
Echinococcus multilocularis histone lysine N methyltransferase SETMAR 0.0029 0.0095 0.009
Echinococcus multilocularis protein patched 0.0043 0.0196 0.0192
Echinococcus multilocularis thyroid hormone receptor alpha 0.002 0.0031 0.0027
Mycobacterium tuberculosis Phenyloxazoline synthase MbtB (phenyloxazoline synthetase) 0.0027 0.0084 0.0119
Echinococcus granulosus Nuclear hormone receptor family member nhr 41 0.002 0.0031 0.0027
Brugia malayi CHE-14 protein 0.0043 0.0196 0.0716
Onchocerca volvulus Pyruvate kinase homolog 0.0032 0.0121 0.0582
Brugia malayi GTP-binding regulatory protein Gs alpha-S chain, putative 0.0045 0.0215 0.0786
Trichomonas vaginalis conserved hypothetical protein 0.0043 0.0196 0.0754
Echinococcus granulosus nuclear receptor 2DBD gamma 0.002 0.0031 0.0027
Mycobacterium ulcerans pyruvate kinase 0.0032 0.0121 0.0158
Leishmania major pyruvate kinase 0.0032 0.0121 0.108
Loa Loa (eye worm) AMP-binding enzyme family protein 0.0027 0.0084 0.0195
Schistosoma mansoni microtubule-associated protein tau 0.1369 1 1
Echinococcus multilocularis hepatocyte nuclear factor 4 alpha 0.002 0.0031 0.0027
Leishmania major acetyl-CoA synthetase, putative 0.0027 0.0084 0.0358
Echinococcus multilocularis microtubule associated protein 2 0.1369 1 1
Mycobacterium ulcerans acyl-CoA synthetase 0.0093 0.0571 0.2076
Loa Loa (eye worm) hypothetical protein 0.0093 0.0571 0.1995
Echinococcus granulosus sterol regulatory element binding protein 0.0043 0.0196 0.0192
Schistosoma mansoni hypothetical protein 0.0041 0.0185 0.0181
Giardia lamblia Kinase, CMGC GSK 0.0094 0.0578 1
Loa Loa (eye worm) hypothetical protein 0.0027 0.0084 0.0195
Mycobacterium ulcerans long-chain-fatty-acid-CoA ligase 0.0093 0.0571 0.2076
Echinococcus multilocularis Niemann Pick C1 protein 0.0099 0.0615 0.0611
Echinococcus multilocularis glycogen synthase kinase 3 beta 0.0094 0.0578 0.0574
Schistosoma mansoni hypothetical protein 0.0047 0.0225 0.0221
Mycobacterium leprae Probable ATP phosphoribosyltransferase HisG 0.0345 0.243 1
Mycobacterium ulcerans fatty-acid-CoA ligase 0.0093 0.0571 0.2076
Trypanosoma brucei long-chain-fatty-acid-CoA ligase, putative 0.0027 0.0084 0.0358
Brugia malayi Pre-SET motif family protein 0.0201 0.1369 0.5
Brugia malayi Iron-sulfur cluster assembly accessory protein 0.0047 0.0228 0.0831
Schistosoma mansoni thyroid hormone receptor 0.002 0.0031 0.0027
Schistosoma mansoni hypothetical protein 0.0041 0.0185 0.0181
Brugia malayi ecdysteroid receptor 0.002 0.0031 0.0113
Brugia malayi acetyl-Coenzyme A synthetase 2 0.0027 0.0084 0.0305
Trichomonas vaginalis set domain proteins, putative 0.0229 0.1575 1
Brugia malayi Nuclear hormone receptor family member nhr-19 0.002 0.0031 0.0113
Trypanosoma cruzi pyruvate kinase 2, putative 0.0032 0.0121 0.108
Onchocerca volvulus 0.0093 0.0571 0.3498
Onchocerca volvulus 0.0047 0.0228 0.1274
Mycobacterium tuberculosis P-hydroxybenzoyl-AMP ligase FadD22 0.0027 0.0084 0.0119
Schistosoma mansoni Guanine nucleotide-binding protein G(s) subunit alpha (Adenylate cyclase-stimulating G alpha protein) 0.0045 0.0215 0.0211
Loa Loa (eye worm) GTP-binding regulatory protein Gs alpha-S chain 0.0045 0.0215 0.0681
Mycobacterium ulcerans ATP phosphoribosyltransferase 0.0345 0.243 1
Onchocerca volvulus Pyruvate kinase homolog 0.0032 0.0121 0.0582
Schistosoma mansoni survival motor neuron protein 0.0047 0.0228 0.0224
Echinococcus granulosus hepatocyte nuclear factor 4 alpha 0.002 0.0031 0.0027
Schistosoma mansoni transcription factor LCR-F1 0.0036 0.0144 0.014
Trypanosoma brucei pyruvate kinase 1, putative 0.0032 0.0121 0.108
Loa Loa (eye worm) hypothetical protein 0.0029 0.0095 0.0235
Schistosoma mansoni pyruvate kinase 0.0032 0.0121 0.0117
Echinococcus multilocularis FTZ F1 alpha 0.002 0.0031 0.0027
Brugia malayi Pyruvate kinase, muscle isozyme 0.0032 0.0121 0.0441
Echinococcus granulosus retinoic acid receptor rxr beta a 0.002 0.0031 0.0027
Brugia malayi Nuclear hormone receptor family member nhr-25 0.002 0.0031 0.0113
Schistosoma mansoni histone-lysine n-methyltransferase setb1 0.0029 0.0095 0.009
Brugia malayi Nuclear hormone receptor family member nhr-41 0.002 0.0031 0.0113
Plasmodium falciparum ataxin-2 like protein, putative 0.0025 0.0065 0.1066
Toxoplasma gondii histone lysine methyltransferase SET/SUV39 0.0029 0.0095 0.1575
Echinococcus granulosus guanine nucleotide binding protein Gs subunit 0.0045 0.0215 0.0211
Brugia malayi Niemann-Pick C1 protein precursor 0.0099 0.0615 0.2246
Leishmania major 4-coumarate:coa ligase-like protein 0.0093 0.0571 0.9855
Echinococcus multilocularis protein dispatched 1 0.0049 0.0241 0.0237
Brugia malayi Pre-SET motif family protein 0.0029 0.0095 0.0345
Brugia malayi Nuclear hormone receptor-like 1 0.002 0.0031 0.0113
Mycobacterium tuberculosis Probable fatty-acid-CoA ligase FadD7 (fatty-acid-CoA synthetase) (fatty-acid-CoA synthase) 0.0066 0.0368 0.1318
Schistosoma mansoni coup transcription factor 0.002 0.0031 0.0027
Onchocerca volvulus 0.0029 0.0095 0.0413
Brugia malayi hypothetical protein 0.0025 0.0065 0.0238
Schistosoma mansoni photoreceptor-specific nuclear receptor related 0.002 0.0031 0.0027
Brugia malayi Nuclear hormone receptor family member nhr-19 0.002 0.0031 0.0113
Entamoeba histolytica protein kinase domain containing protein 0.0094 0.0578 0.9352
Brugia malayi Nuclear hormone receptor family member nhr-3 0.002 0.0031 0.0113
Echinococcus granulosus tumor protein p63 0.0661 0.4765 0.4763
Chlamydia trachomatis acylglycerophosphoethanolamine acyltransferase 0.007 0.0396 1
Entamoeba histolytica hypothetical protein 0.0036 0.0144 0.1689
Loa Loa (eye worm) hypothetical protein 0.0025 0.0065 0.0127
Brugia malayi MH2 domain containing protein 0.012 0.0771 0.2816
Echinococcus multilocularis Niemann Pick C1 protein 0.0142 0.093 0.0926
Loa Loa (eye worm) hypothetical protein 0.0093 0.0571 0.1995
Echinococcus multilocularis expressed conserved protein 0.0093 0.0571 0.0567
Echinococcus multilocularis Nuclear hormone receptor family member nhr 41 0.002 0.0031 0.0027
Echinococcus multilocularis FTZ F1 nuclear receptor protein 0.002 0.0031 0.0027
Mycobacterium tuberculosis Probable pyruvate kinase PykA 0.0032 0.0121 0.0275
Onchocerca volvulus 0.0027 0.0084 0.0342
Echinococcus multilocularis protein kinase shaggy 0.0094 0.0578 0.0574
Schistosoma mansoni hypothetical protein 0.0047 0.0225 0.0221
Leishmania major long-chain-fatty-acid-CoA ligase, putative 0.0027 0.0084 0.0358
Echinococcus multilocularis survival motor neuron protein 1 0.023 0.1579 0.1576
Schistosoma mansoni histone-lysine n-methyltransferase setb1 0.0029 0.0095 0.009
Trypanosoma cruzi glycogen synthase kinase 3, putative 0.0094 0.0578 1
Echinococcus granulosus pyruvate kinase 0.0032 0.0121 0.0117
Plasmodium vivax SET domain protein, putative 0.0029 0.0095 0.1575
Echinococcus multilocularis pyruvate kinase 0.0026 0.007 0.0066
Schistosoma mansoni hypothetical protein 0.0036 0.0144 0.014
Echinococcus multilocularis Basic leucine zipper (bZIP) transcription 0.0036 0.0144 0.014
Loa Loa (eye worm) hypothetical protein 0.007 0.0396 0.1351
Schistosoma mansoni histone-lysine n-methyltransferase suv9 0.0029 0.0095 0.009
Schistosoma mansoni hypothetical protein 0.0047 0.0225 0.0221
Brugia malayi Nuclear hormone receptor family member nhr-14 0.002 0.0031 0.0113
Loa Loa (eye worm) pigment dispersing factor receptor c 0.0147 0.0969 0.3464
Echinococcus multilocularis diuretic hormone 44 receptor GPRdih2 0.0047 0.0225 0.0221
Echinococcus granulosus 5'partial|histone lysine N methyltransferase SETDB2 0.0028 0.0087 0.0083
Echinococcus granulosus COUP TF:Svp nuclear hormone receptor 0.002 0.0031 0.0027
Plasmodium falciparum acetyl-CoA synthetase, putative 0.0027 0.0084 0.1385
Loa Loa (eye worm) transcription factor SMAD2 0.012 0.0771 0.2734
Trypanosoma brucei acetyl-CoA synthetase, putative 0.0027 0.0084 0.0358
Echinococcus multilocularis ecdysone induced protein 78C 0.002 0.0031 0.0027
Entamoeba histolytica acyl-CoA synthetase, putative 0.0093 0.0571 0.922
Plasmodium falciparum ataxin-2 like protein, putative 0.0025 0.0065 0.1066
Loa Loa (eye worm) hypothetical protein 0.0052 0.0267 0.0872
Schistosoma mansoni Tr4/Tr2 (homologue) 0.002 0.0031 0.0027
Loa Loa (eye worm) hypothetical protein 0.0101 0.0625 0.2193
Loa Loa (eye worm) hypothetical protein 0.0032 0.0121 0.0332
Entamoeba histolytica hypothetical protein 0.0036 0.0144 0.1689
Giardia lamblia Pyruvate kinase 0.0032 0.0121 0.2031
Schistosoma mansoni pyruvate kinase 0.0032 0.0121 0.0117
Plasmodium falciparum glycogen synthase kinase 3 0.0094 0.0578 1
Leishmania major pyruvate kinase 0.0032 0.0121 0.108
Mycobacterium ulcerans long-chain-fatty-acid--CoA ligase 0.0093 0.0571 0.2076
Schistosoma mansoni RAR-like nuclear receptor 0.002 0.0031 0.0027
Onchocerca volvulus 0.0097 0.0596 0.3661
Brugia malayi calcium-independent alpha-latrotoxin receptor 2, putative 0.0047 0.0225 0.0823
Echinococcus granulosus expressed conserved protein 0.0093 0.0571 0.0567
Entamoeba histolytica hypothetical protein 0.0036 0.0144 0.1689
Echinococcus multilocularis serine:threonine protein kinase TAO1 0.0387 0.2738 0.2735
Plasmodium vivax ataxin-2 like protein, putative 0.0025 0.0065 0.1066
Echinococcus multilocularis guanine nucleotide binding protein G(s) subunit 0.0045 0.0215 0.0211
Echinococcus multilocularis tumor protein p63 0.0661 0.4765 0.4763
Plasmodium falciparum acyl-CoA synthetase 0.007 0.0396 0.6834
Loa Loa (eye worm) hypothetical protein 0.023 0.1579 0.572
Schistosoma mansoni hypothetical protein 0.0101 0.0625 0.0621
Schistosoma mansoni FTZ-F1 nuclear receptor-like protein 0.002 0.0031 0.0027
Loa Loa (eye worm) hypothetical protein 0.0147 0.0969 0.3464
Entamoeba histolytica acyl-coA synthetase, putative 0.0093 0.0571 0.922
Schistosoma mansoni cellular tumor antigen P53 0.0097 0.0596 0.0592
Brugia malayi Nuclear hormone receptor family member nhr-40 0.002 0.0031 0.0113
Trypanosoma brucei pyruvate kinase 1 0.0032 0.0121 0.108
Echinococcus granulosus diuretic hormone 44 receptor GPRdih2 0.0047 0.0225 0.0221
Brugia malayi AMP-binding enzyme family protein 0.0027 0.0084 0.0305
Echinococcus multilocularis GPCR, family 2 0.0047 0.0225 0.0221
Echinococcus granulosus geminin 0.0329 0.231 0.2306
Loa Loa (eye worm) pre-SET domain-containing protein family protein 0.0201 0.1369 0.4943
Loa Loa (eye worm) AMP-binding enzyme family protein 0.0027 0.0084 0.0195
Onchocerca volvulus 0.0027 0.0084 0.0342
Schistosoma mansoni histone-lysine n-methyltransferase setb1 0.0029 0.0095 0.009
Loa Loa (eye worm) abnormal chemotaxis protein 14 0.0043 0.0196 0.061
Echinococcus granulosus FTZ F1 nuclear receptor protein 0.002 0.0031 0.0027

Activities

Activity type Activity value Assay description Source Reference
IC50 (binding) Inhibition of equine BChE using after 10 mins by Ellman's method ChEMBL. 23462716
IC50 (binding) = 47.15 umol/L Inhibition of Electrophorus electricus AChE using acetylthiocholine as substrate after 10 mins by Ellman's method ChEMBL. 23462716

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.
 
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External resources for this compound

Bibliographic References

No literature references available for this target.

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