Detailed information for compound 57867

Basic information

Technical information
  • Name: Unnamed compound
  • MW: 405.51 | Formula: C17H31N3O6S
  • H donors: 5 H acceptors: 6 LogP: -1.37 Rotable bonds: 17
    Rule of 5 violations (Lipinski): 1
  • SMILES: CCCCCC(SCC(C(=O)NCC(=O)O)NC(=O)CC[C@@H](C(=O)O)N)C
  • InChi: 1S/C17H31N3O6S/c1-3-4-5-6-11(2)27-10-13(16(24)19-9-15(22)23)20-14(21)8-7-12(18)17(25)26/h11-13H,3-10,18H2,1-2H3,(H,19,24)(H,20,21)(H,22,23)(H,25,26)/t11?,12-,13?/m0/s1
  • InChiKey: GELUFAOMDCVNMM-CPCZMJQVSA-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
Echinococcus multilocularis dual specificity 0.0103 0.0408 0.0408
Mycobacterium tuberculosis Possible penicillin-binding protein 0.0517 0.232 0.231
Loa Loa (eye worm) hypothetical protein 0.0026 0.0048 0.0048
Echinococcus granulosus raf serine:threonine protein kinase 0.0703 0.318 0.318
Mycobacterium ulcerans acyl-CoA synthetase 0.0026 0.0048 0.0232
Leishmania major 4-coumarate:coa ligase-like protein 0.0026 0.0048 0.0845
Trichomonas vaginalis receptor histidine kinase, putative 0.0079 0.0294 0.9417
Schistosoma mansoni protein kinase C mu 0.0024 0.0043 0.0043
Echinococcus granulosus inositol monophosphatase 1 0.0076 0.0281 0.0281
Echinococcus multilocularis protein dispatched 1 0.0052 0.0172 0.0172
Brugia malayi DNA topoisomerase II, alpha isozyme 0.0069 0.025 0.025
Toxoplasma gondii diacylglycerol kinase, putative 0.0024 0.0043 0.0259
Echinococcus granulosus protein kinase c iota type 0.0025 0.0045 0.0045
Echinococcus multilocularis Protein kinase C, brain isozyme 0.0025 0.0045 0.0045
Loa Loa (eye worm) hypothetical protein 0.0081 0.0303 0.0303
Trichomonas vaginalis sensor histidine kinase, putative 0.0079 0.0294 0.9417
Echinococcus granulosus multidrug resistance associated protein 1 0.0017 0.0009 0.0009
Loa Loa (eye worm) TOPoisomerase family member 0.0069 0.025 0.025
Trichomonas vaginalis sensory transduction histidine kinase bacterial, putative 0.0079 0.0294 0.9417
Echinococcus multilocularis protein kinase c iota type 0.0025 0.0045 0.0045
Loa Loa (eye worm) beta-LACTamase domain containing family member 0.0081 0.0303 0.0303
Brugia malayi Protein kinase domain containing protein 0.0103 0.0408 0.0408
Mycobacterium ulcerans two component system response phosphate sensor kinase, PhoR 0.0021 0.0026 0.0057
Wolbachia endosymbiont of Brugia malayi fructose-1,6-bisphosphatase 0.0076 0.0281 0.0256
Loa Loa (eye worm) hypothetical protein 0.0024 0.0043 0.0043
Schistosoma mansoni multidrug resistance protein 0.0017 0.0009 0.0009
Loa Loa (eye worm) hypothetical protein 0.0173 0.073 0.073
Loa Loa (eye worm) hypothetical protein 0.0046 0.0142 0.0142
Trichomonas vaginalis D-aminoacylase, putative 0.0081 0.0303 1
Loa Loa (eye worm) inositol-1 0.0076 0.0281 0.0281
Echinococcus granulosus survival motor neuron protein 1 0.0531 0.2387 0.2387
Loa Loa (eye worm) raf kinase 0.0699 0.3164 0.3164
Loa Loa (eye worm) hypothetical protein 0.0024 0.0043 0.0043
Echinococcus granulosus excitatory amino acid transporter 2 0.2176 1 1
Loa Loa (eye worm) hypothetical protein 0.0024 0.0043 0.0043
Brugia malayi AMP-binding enzyme family protein 0.0026 0.0048 0.0048
Mycobacterium ulcerans two component sensor kinase MprB 0.0021 0.0026 0.0057
Schistosoma mansoni hypothetical protein 0.0044 0.0134 0.0134
Chlamydia trachomatis DNA gyrase subunit A 0.03 0.1319 0.1303
Entamoeba histolytica protein kinase domain containing protein 0.0103 0.0408 0.9606
Onchocerca volvulus Excitatory amino acid transporter homolog 0.2176 1 1
Mycobacterium ulcerans two component regulator - sensor kinase 0.0021 0.0026 0.0057
Trichomonas vaginalis sensory transduction histidine kinase bacterial, putative 0.0079 0.0294 0.9417
Brugia malayi Muscleblind-like protein 0.0173 0.073 0.073
Brugia malayi beta-lactamase family protein 0.0081 0.0303 0.0303
Schistosoma mansoni patched 1 0.0046 0.0142 0.0142
Mycobacterium ulcerans DNA gyrase subunit A 0.03 0.1319 1
Mycobacterium leprae Probable DNA gyrase (subunit B) GyrB (DNA topoisomerase (ATP-hydrolysing)) (DNA topoisomerase II) (Type II DNA topoisomerase) 0.005 0.0159 0.2362
Brugia malayi Phorbol esters/diacylglycerol binding domain 0.0025 0.0045 0.0045
Brugia malayi cytoplasmic intermediate filament protein 0.0016 0.0002 0.0002
Trypanosoma cruzi hypothetical protein, conserved 0.0081 0.0303 0.6254
Loa Loa (eye worm) hypothetical protein 0.0103 0.0405 0.0405
Echinococcus granulosus Diacylglycerol kinase theta 0.0024 0.0043 0.0043
Echinococcus multilocularis lamin dm0 0.0029 0.0065 0.0065
Loa Loa (eye worm) excitatory amino acid transporter 0.2176 1 1
Brugia malayi RhoGAP domain containing protein 0.0024 0.0043 0.0043
Echinococcus multilocularis Niemann Pick C1 protein 0.0153 0.0637 0.0637
Mycobacterium leprae PROBABLE FATTY-ACID-CoA LIGASE FADD2 (FATTY-ACID-CoA SYNTHETASE) (FATTY-ACID-CoA SYNTHASE) 0.0026 0.0048 0.0402
Loa Loa (eye worm) MH2 domain-containing protein 0.013 0.053 0.053
Trypanosoma brucei inositol-1(or 4)-monophosphatase 1, putative 0.0076 0.0281 0.5775
Echinococcus granulosus protein kinase c epsilon type 0.0025 0.0045 0.0045
Echinococcus granulosus lamin dm0 0.0029 0.0065 0.0065
Schistosoma mansoni serine/threonine protein kinase 0.0703 0.318 0.318
Echinococcus granulosus Serine/threonine-protein kinase Genghis Khan 0.0025 0.0045 0.0045
Mycobacterium ulcerans long-chain fatty-acid CoA ligase 0.0026 0.0048 0.0232
Loa Loa (eye worm) hypothetical protein 0.0019 0.0018 0.0018
Brugia malayi MH2 domain containing protein 0.013 0.053 0.053
Mycobacterium tuberculosis Fatty-acid-AMP ligase FadD30 (fatty-acid-AMP synthetase) (fatty-acid-AMP synthase) 0.0019 0.0018 0.0005
Mycobacterium leprae Probable lipase LipE 0.0081 0.0303 0.4905
Loa Loa (eye worm) hypothetical protein 0.0024 0.0043 0.0043
Plasmodium vivax hypothetical protein, conserved 0.0081 0.0303 0.2191
Echinococcus multilocularis myotubularin protein 13 0.0024 0.0043 0.0043
Mycobacterium tuberculosis Conserved protein 0.0081 0.0303 0.029
Loa Loa (eye worm) hypothetical protein 0.0081 0.0303 0.0303
Echinococcus granulosus beta LACTamase domain containing family member 0.0081 0.0303 0.0303
Toxoplasma gondii inositol(myo)-1(or 4)-monophosphatase 2, putative 0.0076 0.0281 0.2077
Chlamydia trachomatis DNA gyrase subunit B 0.0099 0.0388 0.037
Echinococcus multilocularis Excitatory amino acid transporter 0.2176 1 1
Leishmania major 4-coumarate:coa ligase-like protein 0.0026 0.0048 0.0845
Leishmania major 4-coumarate:coa ligase-like protein 0.0026 0.0048 0.0845
Schistosoma mansoni lamin 0.0029 0.0065 0.0065
Brugia malayi C1-like domain containing protein 0.0025 0.0045 0.0045
Loa Loa (eye worm) ABC transporter transmembrane region family protein 0.0017 0.0009 0.0009
Loa Loa (eye worm) hypothetical protein 0.0081 0.0303 0.0303
Brugia malayi CHE-14 protein 0.0046 0.0142 0.0142
Schistosoma mansoni serine/threonine protein kinase 0.0025 0.0045 0.0045
Loa Loa (eye worm) intermediate filament protein 0.0029 0.0065 0.0065
Trypanosoma cruzi myo-inositol-1(or 4)-monophosphatase 1, putative 0.0076 0.0281 0.5775
Brugia malayi beta-lactamase family protein 0.0081 0.0303 0.0303
Loa Loa (eye worm) hypothetical protein 0.0017 0.0009 0.0009
Entamoeba histolytica acyl-coA synthetase, putative 0.0026 0.0048 0.0958
Brugia malayi AMP-binding enzyme family protein 0.0026 0.0048 0.0048
Schistosoma mansoni lamin 0.0029 0.0065 0.0065
Onchocerca volvulus DNA topoisomerase 2 homolog 0.0069 0.025 0.0208
Brugia malayi hypothetical protein 0.0531 0.2387 0.2387
Chlamydia trachomatis DNA gyrase subunit B 0.0149 0.0618 0.0601
Brugia malayi Calcitonin receptor-like protein seb-1 0.0048 0.0153 0.0153
Brugia malayi Inositol-1 0.0076 0.0281 0.0281
Mycobacterium ulcerans two component sensory transduction histidine kinase MtrB 0.0021 0.0026 0.0057
Trichomonas vaginalis myo inositol monophosphatase, putative 0.0076 0.0281 0.8604
Echinococcus granulosus dual specificity 0.0103 0.0408 0.0408
Loa Loa (eye worm) hypothetical protein 0.0019 0.0018 0.0018
Echinococcus granulosus C2 calcium dependent membrane targeting 0.0024 0.0043 0.0043
Mycobacterium tuberculosis Conserved protein 0.0081 0.0303 0.029
Loa Loa (eye worm) hypothetical protein 0.0026 0.0048 0.0048
Loa Loa (eye worm) hypothetical protein 0.0028 0.0058 0.0058
Brugia malayi beta-lactamase 0.0081 0.0303 0.0303
Echinococcus multilocularis protein kinase c epsilon type 0.0025 0.0045 0.0045
Schistosoma mansoni intracisternal A-particle retropepsin (A02 family) 0.1302 0.5954 0.5954
Schistosoma mansoni hypothetical protein 0.0024 0.0043 0.0043
Echinococcus granulosus neutral amino acid transporter 0.2176 1 1
Mycobacterium tuberculosis Conserved protein 0.0081 0.0303 0.029
Echinococcus multilocularis muscleblind protein 1 0.0173 0.073 0.073
Trichomonas vaginalis penicillin-binding protein, putative 0.0081 0.0303 1
Echinococcus multilocularis DNA topoisomerase 2 alpha 0.0069 0.025 0.025
Echinococcus multilocularis N chimaerin 0.0024 0.0043 0.0043
Trichomonas vaginalis esterase, putative 0.0081 0.0303 1
Mycobacterium ulcerans two component system membrane associated sensor kinase 0.0021 0.0026 0.0057
Onchocerca volvulus Huntingtin homolog 0.0252 0.1095 0.1057
Echinococcus multilocularis geminin 0.0196 0.0838 0.0838
Brugia malayi Corticotropin releasing factor receptor 2 precursor, putative 0.0048 0.0153 0.0153
Mycobacterium ulcerans two component sensor histidine kinase SenX3 0.0021 0.0026 0.0057
Loa Loa (eye worm) hypothetical protein 0.0029 0.0065 0.0065
Loa Loa (eye worm) hypothetical protein 0.0017 0.0008 0.0008
Mycobacterium ulcerans fusion of enoyl-CoA hydratase, EchA21 and lipase, LipE 0.0081 0.0303 0.2191
Mycobacterium tuberculosis Possible two component system response sensor kinase membrane associated PhoR 0.0021 0.0026 0.0012
Trypanosoma brucei DNA topoisomerase II beta, putative 0.0059 0.0202 0.4102
Mycobacterium tuberculosis Two component sensory transduction histidine kinase MtrB 0.0021 0.0026 0.0012
Mycobacterium ulcerans extragenic suppressor protein SuhB 0.0076 0.0281 0.2018
Onchocerca volvulus 0.0081 0.0303 0.0262
Brugia malayi Ras association domain family 1 isoform A 0.0024 0.0043 0.0043
Schistosoma mansoni family S12 unassigned peptidase (S12 family) 0.0081 0.0303 0.0303
Loa Loa (eye worm) TKL/RAF/RAF protein kinase 0.0398 0.1772 0.1772
Mycobacterium tuberculosis Probable conserved lipoprotein 0.0081 0.0303 0.029
Loa Loa (eye worm) hypothetical protein 0.0024 0.0043 0.0043
Giardia lamblia MRP-like ABC transporter 0.0017 0.0009 0.0032
Loa Loa (eye worm) CAMK/PKD protein kinase 0.0025 0.0045 0.0045
Mycobacterium ulcerans DNA gyrase subunit B 0.0149 0.0618 0.4608
Echinococcus multilocularis survival motor neuron protein 1 0.0531 0.2387 0.2387
Echinococcus granulosus sterol regulatory element binding protein 0.0046 0.0142 0.0142
Loa Loa (eye worm) hypothetical protein 0.0031 0.0074 0.0074
Echinococcus granulosus myotubularin protein 13 0.0024 0.0043 0.0043
Echinococcus multilocularis excitatory amino acid transporter 2 0.2176 1 1
Brugia malayi diacylglycerol kinase 0.0024 0.0043 0.0043
Mycobacterium ulcerans long-chain-fatty-acid--CoA ligase 0.0026 0.0048 0.0232
Onchocerca volvulus 0.0029 0.0065 0.0022
Echinococcus multilocularis atpase aaa+ type core atpase aaa type core 0.0787 0.3571 0.3571
Mycobacterium ulcerans acyl-CoA synthetase 0.0026 0.0048 0.0232
Trichomonas vaginalis D-aminoacylase, putative 0.0081 0.0303 1
Mycobacterium tuberculosis Probable chain -fatty-acid-CoA ligase FadD13 (fatty-acyl-CoA synthetase) 0.0026 0.0048 0.0035
Loa Loa (eye worm) hypothetical protein 0.0252 0.1095 0.1095
Schistosoma mansoni atypical protein kinase C 0.0025 0.0045 0.0045
Echinococcus granulosus multidrug resistance associated protein 7 0.0017 0.0009 0.0009
Plasmodium falciparum DNA gyrase subunit A 0.03 0.1319 1
Loa Loa (eye worm) variant SH3 domain-containing protein 0.0024 0.0043 0.0043
Echinococcus granulosus N chimaerin 0.0024 0.0043 0.0043
Schistosoma mansoni multidrug resistance protein 0.0017 0.0009 0.0009
Onchocerca volvulus 0.0108 0.043 0.039
Mycobacterium tuberculosis Possible conserved lipoprotein LpqK 0.0081 0.0303 0.029
Loa Loa (eye worm) hypothetical protein 0.0081 0.0303 0.0303
Loa Loa (eye worm) hypothetical protein 0.0103 0.0405 0.0405
Brugia malayi Niemann-Pick C1 protein precursor 0.0107 0.0424 0.0424
Echinococcus multilocularis protein kinase c eta type 0.0024 0.0043 0.0043
Brugia malayi Protein kinase c protein 2 0.0025 0.0045 0.0045
Trypanosoma cruzi mitochondrial DNA topoisomerase II, putative 0.0119 0.048 1
Brugia malayi Probable DNA topoisomerase II 0.0069 0.025 0.025
Schistosoma mansoni inositol monophosphatase 0.0076 0.0281 0.0281
Mycobacterium ulcerans acyl-CoA synthetase 0.0026 0.0048 0.0232
Schistosoma mansoni serine/threonine protein kinase 0.0025 0.0045 0.0045
Onchocerca volvulus 0.0029 0.0065 0.0022
Trypanosoma cruzi CMGC/DYRK protein kinase, putative 0.0103 0.0408 0.8472
Brugia malayi intermediate filament protein 0.0029 0.0065 0.0065
Schistosoma mansoni serine/threonine protein kinase 0.0025 0.0045 0.0045
Echinococcus multilocularis musashi 0.0029 0.0065 0.0065
Schistosoma mansoni family S12 unassigned peptidase (S12 family) 0.0081 0.0303 0.0303
Mycobacterium tuberculosis Probable lipase LipD 0.0081 0.0303 0.029
Echinococcus multilocularis multidrug resistance associated protein 1 0.0017 0.0009 0.0009
Echinococcus multilocularis C2 calcium dependent membrane targeting 0.0024 0.0043 0.0043
Leishmania major mitochondrial DNA topoisomerase II 0.0119 0.048 1
Mycobacterium leprae conserved hypothetical protein 0.0081 0.0303 0.4905
Treponema pallidum glutamate transporter 0.0965 0.4393 1
Brugia malayi protein kinase C II. 0.0025 0.0045 0.0045
Loa Loa (eye worm) hypothetical protein 0.0033 0.0082 0.0082
Loa Loa (eye worm) hypothetical protein 0.0252 0.1095 0.1095
Treponema pallidum DNA gyrase, subunit A (gyrA) 0.03 0.1319 0.1858
Toxoplasma gondii DNA topoisomerase 2, putative 0.0069 0.025 0.184
Entamoeba histolytica hypothetical protein 0.0103 0.0408 0.9606
Plasmodium falciparum DNA topoisomerase 2 0.0069 0.025 0.1779
Mycobacterium ulcerans beta-lactamase 0.0081 0.0303 0.2191
Mycobacterium tuberculosis Probable hydrolase 0.0081 0.0303 0.029
Brugia malayi RhoGEF domain containing protein 0.0024 0.0043 0.0043
Loa Loa (eye worm) AGC/PKC/ETA protein kinase 0.0025 0.0045 0.0045
Brugia malayi Raf kinase 0.0678 0.3067 0.3067
Loa Loa (eye worm) hypothetical protein 0.0024 0.0043 0.0043
Brugia malayi Protein kinase domain containing protein 0.0025 0.0045 0.0045
Schistosoma mansoni intermediate filament proteins 0.0029 0.0065 0.0065
Echinococcus multilocularis guanine nucleotide exchange factor VAV2 0.0024 0.0043 0.0043
Schistosoma mansoni unc-13 (munc13) 0.0024 0.0043 0.0043
Loa Loa (eye worm) RasGEF domain-containing protein 0.0024 0.0043 0.0043
Trypanosoma brucei DNA topoisomerase ii 0.0119 0.048 1
Loa Loa (eye worm) hypothetical protein 0.0081 0.0303 0.0303
Echinococcus multilocularis Diacylglycerol kinase theta 0.0024 0.0043 0.0043
Schistosoma mansoni sodium/dicarboxylate symporter-related 0.0965 0.4393 0.4393
Mycobacterium leprae Probable DNA gyrase (subunit A) GyrA (DNA topoisomerase (ATP-hydrolysing)) (DNA topoisomerase II) (Type II DNA topoisomerase) 0.0143 0.0592 1
Echinococcus multilocularis neutral amino acid transporter A 0.2176 1 1
Onchocerca volvulus Huntingtin homolog 0.0252 0.1095 0.1057
Echinococcus granulosus sodium:dicarboxylate symporter 0.2176 1 1
Loa Loa (eye worm) hypothetical protein 0.0031 0.0074 0.0074
Echinococcus multilocularis lamin 0.0029 0.0065 0.0065
Loa Loa (eye worm) hypothetical protein 0.0048 0.0153 0.0153
Mycobacterium tuberculosis Two component sensor histidine kinase PrrB 0.0021 0.0026 0.0012
Wolbachia endosymbiont of Brugia malayi signal transduction histidine kinase and receiver 0.0026 0.0048 0.0022
Echinococcus multilocularis neutral amino acid transporter excitatory amino acid transporter 0.0965 0.4393 0.4393
Loa Loa (eye worm) RhoGAP domain-containing protein 0.0024 0.0043 0.0043
Trypanosoma cruzi DNA topoisomerase II, putative 0.0059 0.0202 0.4102
Loa Loa (eye worm) hypothetical protein 0.0081 0.0303 0.0303
Schistosoma mansoni solute carrier family 1 (glial high affinity glutamate transporter 0.2176 1 1
Mycobacterium ulcerans hypothetical protein 0.0026 0.0048 0.0232
Brugia malayi Pleckstrin Homology Domain 0.0024 0.0043 0.0043
Mycobacterium tuberculosis Possible two component sensor kinase TcrY 0.0021 0.0026 0.0012
Schistosoma mansoni serine/threonine protein kinase 0.0025 0.0045 0.0045
Mycobacterium ulcerans hypothetical protein 0.0081 0.0303 0.2191
Trichomonas vaginalis two component sensor and regulator histidine kinase bacteria, putative 0.0079 0.0294 0.9417
Schistosoma mansoni serine/threonine protein kinase 0.0103 0.0408 0.0408
Brugia malayi Iron-sulfur cluster assembly accessory protein 0.0108 0.043 0.043
Schistosoma mansoni diacylglycerol kinase theta 0.0024 0.0043 0.0043
Echinococcus granulosus Niemann Pick C1 protein 0.0107 0.0424 0.0424
Brugia malayi multidrug resistance related protein 1 0.0017 0.0009 0.0009
Echinococcus granulosus neutral amino acid transporter A 0.2176 1 1
Loa Loa (eye worm) hypothetical protein 0.0024 0.0043 0.0043
Mycobacterium tuberculosis DNA gyrase (subunit B) GyrB (DNA topoisomerase (ATP-hydrolysing)) (DNA topoisomerase II) (type II DNA topoisomerase) 0.0149 0.0618 0.0605
Wolbachia endosymbiont of Brugia malayi DNA gyrase, topoisomerase II, B subunit, GyrB 0.0149 0.0618 0.0594
Echinococcus multilocularis muscleblind protein 0.0173 0.073 0.073
Echinococcus granulosus intermediate filament protein 0.0029 0.0065 0.0065
Wolbachia endosymbiont of Brugia malayi Na+/H+-dicarboxylate symporter 0.2176 1 1
Echinococcus multilocularis beta LACTamase domain containing family member 0.0081 0.0303 0.0303
Entamoeba histolytica diacylglycerol kinase, putative 0.0024 0.0043 0.0817
Mycobacterium tuberculosis Probable sensor protein KdpD 0.0021 0.0026 0.0012
Echinococcus granulosus expressed conserved protein 0.0101 0.0394 0.0394
Loa Loa (eye worm) cytoplasmic intermediate filament protein 0.0016 0.0002 0.0002
Echinococcus multilocularis neutral amino acid transporter A 0.2176 1 1
Onchocerca volvulus 0.0081 0.0303 0.0262
Echinococcus granulosus unc 13 munc13 0.0024 0.0043 0.0043
Entamoeba histolytica DNA topoisomerase II, putative 0.0069 0.025 0.5801
Schistosoma mansoni survival motor neuron protein 0.0108 0.043 0.043
Echinococcus granulosus lamin 0.0029 0.0065 0.0065
Entamoeba histolytica protein kinase, putative 0.0103 0.0408 0.9606
Trichomonas vaginalis receptor histidine kinase, putative 0.0079 0.0294 0.9417
Echinococcus multilocularis neutral amino acid transporter A 0.2176 1 1
Mycobacterium tuberculosis Probable lipase LipE 0.0081 0.0303 0.029
Brugia malayi DNA gyrase/topoisomerase IV, A subunit family protein 0.0069 0.025 0.025
Schistosoma mansoni hypothetical protein 0.0033 0.0082 0.0082
Mycobacterium ulcerans long-chain-fatty-acid-CoA ligase 0.0026 0.0048 0.0232
Echinococcus granulosus DNA topoisomerase 2 alpha 0.0069 0.025 0.025
Plasmodium falciparum DNA gyrase subunit B 0.0149 0.0618 0.4608
Mycobacterium tuberculosis Two component sensor kinase MprB 0.0021 0.0026 0.0012
Plasmodium vivax DNA gyrase subunit A, putative 0.03 0.1319 1
Mycobacterium tuberculosis Probable esterase LipL 0.0081 0.0303 0.029
Plasmodium vivax DNA topoisomerase II, putative 0.0069 0.025 0.1779
Schistosoma mansoni hypothetical protein 0.0196 0.0838 0.0838
Loa Loa (eye worm) hypothetical protein 0.0024 0.0043 0.0043
Mycobacterium tuberculosis DNA gyrase (subunit A) GyrA (DNA topoisomerase (ATP-hydrolysing)) (DNA topoisomerase II) (type II DNA topoisomerase) 0.03 0.1319 0.1308
Mycobacterium ulcerans lipase LipD 0.0081 0.0303 0.2191
Giardia lamblia DNA topoisomerase II 0.006 0.0209 1
Chlamydia trachomatis neutral amino acid transporter 0.0965 0.4393 0.4383
Schistosoma mansoni vav2 0.0024 0.0043 0.0043
Brugia malayi AMP-binding enzyme family protein 0.0026 0.0048 0.0048
Loa Loa (eye worm) hypothetical protein 0.0028 0.0058 0.0058
Schistosoma mansoni unc-13 (munc13) 0.0024 0.0043 0.0043
Trichomonas vaginalis penicillin-binding protein, putative 0.0081 0.0303 1
Onchocerca volvulus Putative DNA topoisomerase 2, mitochondrial 0.0069 0.025 0.0208
Loa Loa (eye worm) AGC/PKC/IOTA protein kinase 0.0025 0.0045 0.0045
Toxoplasma gondii DNA gyrase/topoisomerase IV, A subunit domain-containing protein 0.03 0.1319 1
Treponema pallidum glutamate/aspartate transporter 0.0965 0.4393 1
Brugia malayi Intermediate filament tail domain containing protein 0.0029 0.0065 0.0065
Mycobacterium ulcerans two component sensor histidine kinase PrrB 0.0021 0.0026 0.0057
Schistosoma mansoni niemann-pick C1 (NPC1) 0.0109 0.0432 0.0432
Loa Loa (eye worm) hypothetical protein 0.0019 0.0018 0.0018
Trichomonas vaginalis myo inositol monophosphatase, putative 0.0076 0.0281 0.8604
Echinococcus multilocularis sterol regulatory element binding protein 0.0046 0.0142 0.0142
Loa Loa (eye worm) transcription factor SMAD2 0.013 0.053 0.053
Echinococcus multilocularis serine:threonine protein kinase MRCK beta 0.0025 0.0045 0.0045
Trypanosoma cruzi hypothetical protein, conserved 0.0081 0.0303 0.6254
Mycobacterium ulcerans fatty-acid-CoA ligase 0.0026 0.0048 0.0232
Trypanosoma brucei CMGC/DYRK protein kinase, putative 0.0103 0.0408 0.8472
Echinococcus granulosus neutral amino acid transporter A 0.2176 1 1
Wolbachia endosymbiont of Brugia malayi DNA gyrase subunit A 0.03 0.1319 0.1297
Schistosoma mansoni hypothetical protein 0.0196 0.0838 0.0838
Loa Loa (eye worm) hypothetical protein 0.0024 0.0043 0.0043
Giardia lamblia ABC transporter, putative 0.0017 0.0009 0.0032
Schistosoma mansoni diacylglycerol kinase theta 0.0024 0.0043 0.0043
Schistosoma mansoni chimerin-related rho-gtpase-activating protein 0.0024 0.0043 0.0043
Echinococcus granulosus Excitatory amino acid transporter 0.2176 1 1
Giardia lamblia Multidrug resistance-associated protein 1 0.0017 0.0009 0.0032
Entamoeba histolytica myo-inositol monophosphatase, putative 0.0076 0.0281 0.6548
Mycobacterium tuberculosis Inositol-1-monophosphatase SuhB 0.0068 0.0244 0.0231
Leishmania major serine/threonine-protein kinase, putative,protein kinase, putative 0.0103 0.0408 0.8472
Echinococcus multilocularis Excitatory amino acid transporter 0.2176 1 1
Echinococcus multilocularis sodium:dicarboxylate symporter 0.0965 0.4393 0.4393
Brugia malayi latrophilin 2 splice variant baaae 0.0033 0.0082 0.0082
Brugia malayi RhoGAP domain containing protein 0.0024 0.0043 0.0043
Onchocerca volvulus 0.0081 0.0303 0.0262
Leishmania major hypothetical protein, conserved 0.0081 0.0303 0.6254
Loa Loa (eye worm) hypothetical protein 0.0024 0.0043 0.0043
Echinococcus granulosus Excitatory amino acid transporter 0.2176 1 1
Mycobacterium tuberculosis Probable fatty-acid-CoA ligase FadD2 (fatty-acid-CoA synthetase) (fatty-acid-CoA synthase) 0.0026 0.0048 0.0035
Trypanosoma cruzi myo-inositol-1(or 4)-monophosphatase 1, putative 0.0076 0.0281 0.5775
Mycobacterium tuberculosis Probable esterase/lipase LipP 0.0081 0.0303 0.029
Echinococcus multilocularis multidrug resistance associated protein 7 0.0017 0.0009 0.0009
Loa Loa (eye worm) hypothetical protein 0.0019 0.0018 0.0018
Echinococcus granulosus muscleblind protein 0.0173 0.073 0.073
Loa Loa (eye worm) hypothetical protein 0.0531 0.2387 0.2387
Plasmodium vivax DNA gyrase subunit B, putative 0.0149 0.0618 0.4608
Loa Loa (eye worm) hypothetical protein 0.0026 0.0048 0.0048
Schistosoma mansoni hypothetical protein 0.0108 0.043 0.043
Brugia malayi Hypothetical 52.5 kDa protein ZK945.1 in chromosome II, putative 0.0081 0.0303 0.0303
Echinococcus multilocularis sodium:dicarboxylate symporter 0.2176 1 1
Loa Loa (eye worm) hypothetical protein 0.0029 0.0062 0.0062
Chlamydia trachomatis two component regulatory system sensor histidine kinase 0.0021 0.0026 0.0007
Entamoeba histolytica acyl-CoA synthetase, putative 0.0026 0.0048 0.0958
Loa Loa (eye worm) pigment dispersing factor receptor c 0.0048 0.0153 0.0153
Chlamydia trachomatis glutamate symporter 0.2176 1 1
Echinococcus multilocularis excitatory amino acid transporter 2 0.2176 1 1
Brugia malayi hypothetical protein 0.0252 0.1095 0.1095
Trichomonas vaginalis DNA topoisomerase II, putative 0.0069 0.025 0.6684
Schistosoma mansoni inositol monophosphatase 0.0076 0.0281 0.0281
Schistosoma mansoni family A2 unassigned peptidase (A02 family) 0.0237 0.1025 0.1025
Loa Loa (eye worm) beta-lactamase 0.0081 0.0303 0.0303
Entamoeba histolytica diacylglycerol kinase, putative 0.0024 0.0043 0.0817
Schistosoma mansoni hypothetical protein 0.0044 0.0134 0.0134
Echinococcus multilocularis raf serine:threonine protein kinase 0.0703 0.318 0.318
Echinococcus multilocularis protein patched 0.0046 0.0142 0.0142
Loa Loa (eye worm) Ras association domain family 1 isoform A 0.0024 0.0043 0.0043
Leishmania major myo-inositol-1(or 4)-monophosphatase 1, putative 0.0076 0.0281 0.5775
Schistosoma mansoni rac gtpase activating protein 0.0024 0.0043 0.0043
Schistosoma mansoni hypothetical protein 0.0044 0.0134 0.0134
Loa Loa (eye worm) hypothetical protein 0.0173 0.073 0.073
Echinococcus multilocularis unc 13 (munc13) 0.0024 0.0043 0.0043
Trichomonas vaginalis sensory transduction histidine kinase, putative 0.0079 0.0294 0.9417
Mycobacterium leprae possible inositol monophosphatase SubH (IMPase) (inositol-1-phosphatase) (I-1-Pase ). 0.0068 0.0244 0.3856
Brugia malayi Variant SH3 domain containing protein 0.0024 0.0043 0.0043
Onchocerca volvulus 0.0026 0.0048 0.0006
Mycobacterium tuberculosis Probable C4-dicarboxylate-transport transmembrane protein DctA 0.2176 1 1
Trypanosoma cruzi mitochondrial DNA topoisomerase II, putative 0.0119 0.048 1
Loa Loa (eye worm) hypothetical protein 0.0024 0.0043 0.0043
Schistosoma mansoni hypothetical protein 0.0044 0.0134 0.0134
Loa Loa (eye worm) abnormal chemotaxis protein 14 0.0046 0.0142 0.0142
Mycobacterium ulcerans two component sensor histidine kinase TrcS 0.0021 0.0026 0.0057
Chlamydia trachomatis DNA gyrase subunit A 0.0031 0.0074 0.0055
Entamoeba histolytica hypothetical protein 0.0024 0.0043 0.0817
Trypanosoma cruzi DNA topoisomerase II, putative 0.0059 0.0202 0.4102
Loa Loa (eye worm) hypothetical protein 0.0024 0.0043 0.0043
Loa Loa (eye worm) hypothetical protein 0.0017 0.0009 0.0009
Echinococcus granulosus geminin 0.0196 0.0838 0.0838
Mycobacterium tuberculosis Two component sensor histidine kinase TrcS 0.0021 0.0026 0.0012
Echinococcus granulosus protein kinase c eta type 0.0024 0.0043 0.0043
Loa Loa (eye worm) hypothetical protein 0.0056 0.0189 0.0189
Toxoplasma gondii ABC1 family protein 0.0081 0.0303 0.2249
Loa Loa (eye worm) intermediate filament tail domain-containing protein 0.0029 0.0065 0.0065
Trypanosoma brucei hypothetical protein, conserved 0.0081 0.0303 0.6254
Brugia malayi diacylglycerol kinase 0.0024 0.0043 0.0043
Echinococcus granulosus excitatory amino acid transporter 3 0.2176 1 1
Mycobacterium leprae PROBABLE FATTY-ACID-CoA LIGASE FADD7 (FATTY-ACID-CoA SYNTHETASE) (FATTY-ACID-CoA SYNTHASE) 0.0026 0.0048 0.0402
Entamoeba histolytica acyl-CoA synthetase, putative 0.0026 0.0048 0.0958
Echinococcus multilocularis Rac GTPase activating protein 1 0.0024 0.0043 0.0043
Schistosoma mansoni sodium/dicarboxylate symporter-related 0.0965 0.4393 0.4393
Schistosoma mansoni protein kinase C mu 0.0025 0.0045 0.0045
Schistosoma mansoni multidrug resistance protein 0.0017 0.0009 0.0009
Loa Loa (eye worm) hypothetical protein 0.0107 0.0424 0.0424
Echinococcus granulosus Niemann Pick C1 protein 0.0153 0.0637 0.0637
Brugia malayi ABC transporter transmembrane region family protein 0.0017 0.0009 0.0009
Echinococcus granulosus excitatory amino acid transporter 2 0.2176 1 1
Trypanosoma cruzi CMGC/DYRK protein kinase, putative 0.0103 0.0408 0.8472
Leishmania major DNA topoisomerase ii 0.0059 0.0202 0.4102
Echinococcus multilocularis neutral amino acid transporter excitatory amino acid transporter 0.2176 1 1
Schistosoma mansoni serine/threonine protein kinase 0.0025 0.0045 0.0045
Trypanosoma brucei DNA topoisomerase II alpha, putative 0.0059 0.0202 0.4102
Entamoeba histolytica protein kinase, putative 0.0103 0.0408 0.9606
Brugia malayi protein kinase C3,putative 0.0025 0.0045 0.0045
Loa Loa (eye worm) CMGC/DYRK/DYRK1 protein kinase 0.0103 0.0408 0.0408
Mycobacterium ulcerans esterase/lipase LipP 0.0081 0.0303 0.2191
Trichomonas vaginalis D-aminoacylase, putative 0.0081 0.0303 1
Entamoeba histolytica Niemann-Pick C1 protein, putative 0.0107 0.0424 1
Toxoplasma gondii ATPase/histidine kinase/DNA gyrase B/HSP90 domain-containing protein 0.0088 0.0336 0.2495
Echinococcus multilocularis excitatory amino acid transporter 3 0.2176 1 1
Giardia lamblia Multidrug resistance-associated protein 1 0.0017 0.0009 0.0032
Schistosoma mansoni DNA topoisomerase II 0.0069 0.025 0.025
Schistosoma mansoni chimerin-related rho-gtpase-activating protein 0.0024 0.0043 0.0043
Trichomonas vaginalis inositol monophosphatase, putative 0.0076 0.0281 0.8604
Trichomonas vaginalis conserved hypothetical protein 0.0053 0.0175 0.2081
Onchocerca volvulus DNA topoisomerase 2 homolog 0.0069 0.025 0.0208
Loa Loa (eye worm) hypothetical protein 0.0019 0.0018 0.0018
Schistosoma mansoni protein kinase C 0.0024 0.0043 0.0043
Echinococcus granulosus Rac GTPase activating protein 1 0.0024 0.0043 0.0043
Echinococcus multilocularis Niemann Pick C1 protein 0.0107 0.0424 0.0424
Echinococcus granulosus guanine nucleotide exchange factor VAV2 0.0024 0.0043 0.0043
Schistosoma mansoni multidrug resistance protein 0.0017 0.0009 0.0009
Trichomonas vaginalis sensor histidine kinase, putative 0.0058 0.0197 0.3453
Echinococcus multilocularis inositol monophosphatase 1 0.0076 0.0281 0.0281
Echinococcus granulosus Protein kinase C brain isozyme 0.0025 0.0045 0.0045
Echinococcus multilocularis expressed conserved protein 0.0101 0.0394 0.0394
Echinococcus granulosus Protein patched homolog 1 0.0046 0.0142 0.0142

Activities

Activity type Activity value Assay description Source Reference
Inhibition (binding) = 53 % Tested for percent inhibition of isolated rat liver cytosolic Glutathione S-transferase 1-1 ChEMBL. 12039566
Inhibition (binding) = 53 % Tested for percent inhibition of isolated rat liver cytosolic Glutathione S-transferase 1-1 ChEMBL. 12039566
Inhibition (binding) = 91 % Tested for percent inhibition of isolated rat liver cytosolic Glutathione S-transferase 4-4 isoenzyme ChEMBL. 12039566
Inhibition (binding) = 91 % Tested for percent inhibition of isolated rat liver cytosolic Glutathione S-transferase 4-4 isoenzyme ChEMBL. 12039566
Inhibition (binding) = 95 % Tested for percent inhibition of isolated rat liver cytosolic Glutathione S-transferase 3-3 isoenzyme ChEMBL. 12039566
Inhibition (binding) = 95 % Tested for percent inhibition of isolated rat liver cytosolic Glutathione S-transferase 3-3 isoenzyme ChEMBL. 12039566
Inhibition (binding) = 98 % Tested for percent inhibition of isolated rat liver cytosolic Glutathione S-transferase 2-2 isoenzyme ChEMBL. 12039566
Inhibition (binding) = 98 % Tested for percent inhibition of isolated rat liver cytosolic Glutathione S-transferase 2-2 isoenzyme ChEMBL. 12039566

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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