Detailed information for compound 917333

Basic information

Technical information
  • Name: Unnamed compound
  • MW: 307.31 | Formula: C17H16F3NO
  • H donors: 1 H acceptors: 0 LogP: 3.68 Rotable bonds: 5
    Rule of 5 violations (Lipinski): 1
  • SMILES: Fc1cccc(c1)OC(c1ccc(c(c1)F)F)CC1CNC1
  • InChi: 1S/C17H16F3NO/c18-13-2-1-3-14(8-13)22-17(6-11-9-21-10-11)12-4-5-15(19)16(20)7-12/h1-5,7-8,11,17,21H,6,9-10H2
  • InChiKey: HQCGHDLCHPAWBG-UHFFFAOYSA-N  


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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 granulosus transcription factor Dp 1 0.0037 0.0359 0.0359
Schistosoma mansoni microtubule-associated protein tau 0.0668 1 1
Brugia malayi beta-NAC-like protein 0.0034 0.0311 0.0674
Echinococcus granulosus tyrosine protein phosphatase non receptor type 0.0229 0.3291 0.3291
Loa Loa (eye worm) carboxylesterase 0.0017 0.0048 0.0105
Onchocerca volvulus 0.0041 0.0426 0.1155
Loa Loa (eye worm) hypothetical protein 0.0017 0.0048 0.0105
Trichomonas vaginalis conserved hypothetical protein 0.0027 0.0203 0.0494
Trypanosoma brucei DNA polymerase kappa, putative 0.0019 0.008 0.0187
Trypanosoma cruzi DNA polymerase eta, putative 0.0019 0.008 0.0187
Echinococcus multilocularis carboxylesterase 5A 0.0017 0.0048 0.0048
Brugia malayi Pre-SET motif family protein 0.003 0.0257 0.0557
Mycobacterium ulcerans acyl-CoA synthetase 0.0023 0.0145 0.0675
Trichomonas vaginalis aldo/keto reductase, putative 0.0031 0.0263 0.0638
Echinococcus granulosus para nitrobenzyl esterase 0.0017 0.0048 0.0048
Loa Loa (eye worm) hypothetical protein 0.0017 0.0048 0.0105
Trypanosoma brucei DNA polymerase IV, putative 0.0019 0.008 0.0187
Schistosoma mansoni gliotactin 0.0017 0.0048 0.0048
Entamoeba histolytica acyl-coA synthetase, putative 0.0023 0.0145 0.0352
Brugia malayi glutathione reductase 0.0037 0.0354 0.0765
Schistosoma mansoni hypothetical protein 0.0164 0.23 0.23
Echinococcus granulosus dna polymerase kappa 0.0019 0.008 0.008
Loa Loa (eye worm) oxidoreductase 0.0031 0.0263 0.0569
Plasmodium vivax acyl-CoA synthetase, putative 0.0017 0.0056 0.1592
Loa Loa (eye worm) hypothetical protein 0.0017 0.0056 0.0122
Echinococcus multilocularis guanine nucleotide binding protein G(s) subunit 0.0044 0.0471 0.0471
Brugia malayi Heterochromatin protein 1 0.0067 0.0825 0.1784
Echinococcus multilocularis thioredoxin glutathione reductase 0.0037 0.0361 0.0361
Brugia malayi bHLH-PAS transcription factor 0.007 0.0859 0.1859
Echinococcus granulosus polycomb protein EED 0.0092 0.12 0.12
Echinococcus multilocularis transfer RNA-Lys 0.007 0.0859 0.0859
Echinococcus granulosus terminal deoxycytidyl transferase rev1 0.0019 0.008 0.008
Trichomonas vaginalis fructose-bisphosphate aldolase, putative 0.0283 0.4117 1
Trichomonas vaginalis fructose-bisphosphate aldolase, putative 0.0283 0.4117 1
Echinococcus granulosus aldo keto reductase 0.0031 0.0263 0.0263
Schistosoma mansoni embryonic ectoderm development protein 0.0092 0.12 0.12
Brugia malayi AMP-binding enzyme family protein 0.0023 0.0145 0.0314
Loa Loa (eye worm) glutathione reductase 0.0037 0.0354 0.0765
Echinococcus granulosus aldo keto reductase 0.0031 0.0263 0.0263
Leishmania major prostaglandin f synthase, putative 0.0031 0.0263 0.0438
Leishmania major 4-coumarate:coa ligase-like protein 0.0023 0.0145 0.0156
Trichomonas vaginalis aldo-keto reductase, putative 0.0031 0.0263 0.0638
Echinococcus granulosus tyrosine protein phosphatase non receptor type 0.0229 0.3291 0.3291
Trypanosoma brucei DNA polymerase kappa, putative 0.0019 0.008 0.0187
Echinococcus granulosus neuroligin 0.0017 0.0048 0.0048
Mycobacterium leprae Probable fructose bisphosphate aldolase Fba 0.0138 0.1906 1
Loa Loa (eye worm) thioredoxin reductase 0.0037 0.0354 0.0765
Leishmania major basic transcription factor 3a, putative 0.0034 0.0311 0.0554
Echinococcus granulosus tumor protein p63 0.0327 0.4792 0.4792
Trypanosoma cruzi mitochondrial DNA polymerase beta, putative 0.0292 0.4261 1
Leishmania major prostaglandin f2-alpha synthase/D-arabinose dehydrogenase 0.0031 0.0263 0.0438
Leishmania major mitochondrial DNA polymerase beta-PAK, putative 0.0138 0.1908 0.4373
Trypanosoma cruzi transcription factor btf3, putative 0.0034 0.0311 0.0731
Brugia malayi Tyrosyl-DNA phosphodiesterase family protein 0.0064 0.0771 0.1667
Mycobacterium ulcerans acyl-CoA synthetase 0.0023 0.0145 0.0675
Trypanosoma cruzi STE/STE11 serine/threonine-protein kinase, putative 0.0024 0.0168 0.0395
Plasmodium vivax ataxin-2 like protein, putative 0.0024 0.0167 0.4724
Brugia malayi RNA binding protein 0.0061 0.0731 0.1582
Mycobacterium tuberculosis Putative ferredoxin reductase 0.0084 0.107 0.4986
Toxoplasma gondii LsmAD domain-containing protein 0.0024 0.0167 0.3247
Trichomonas vaginalis conserved hypothetical protein 0.0034 0.0311 0.0756
Schistosoma mansoni tar DNA-binding protein 0.0061 0.0731 0.0731
Trichomonas vaginalis chromobox protein, putative 0.0041 0.0416 0.101
Loa Loa (eye worm) ICD-1 protein 0.0034 0.0311 0.0674
Plasmodium vivax thioredoxin reductase, putative 0.0037 0.0354 1
Echinococcus multilocularis tyrosine protein phosphatase non receptor type 0.0229 0.3291 0.3291
Schistosoma mansoni aryl hydrocarbon receptor 0.0094 0.1233 0.1233
Loa Loa (eye worm) oxidoreductase 0.0031 0.0263 0.0569
Echinococcus multilocularis dna polymerase eta 0.0019 0.008 0.008
Loa Loa (eye worm) hypothetical protein 0.0075 0.0933 0.2019
Echinococcus granulosus transcription factor btf3 0.0034 0.0311 0.0311
Brugia malayi oxidoreductase, aldo/keto reductase family protein 0.0031 0.0263 0.0569
Mycobacterium leprae PROBABLE FATTY-ACID-CoA LIGASE FADD2 (FATTY-ACID-CoA SYNTHETASE) (FATTY-ACID-CoA SYNTHASE) 0.0023 0.0145 0.01
Trypanosoma cruzi trypanothione reductase, putative 0.0037 0.0354 0.083
Trypanosoma brucei tyrosyl-DNA Phosphodiesterase (Tdp1), putative 0.0064 0.0771 0.1809
Loa Loa (eye worm) hypothetical protein 0.003 0.0257 0.0557
Trypanosoma cruzi transcription factor btf3, putative 0.0034 0.0311 0.0731
Echinococcus multilocularis neuroligin 0.0017 0.0048 0.0048
Trichomonas vaginalis dihydrodiol dehydrogenase, putative 0.0031 0.0263 0.0638
Schistosoma mansoni flap endonuclease-1 0.0023 0.0142 0.0142
Schistosoma mansoni aldo-keto reductase 0.0031 0.0263 0.0263
Echinococcus multilocularis polycomb protein EED 0.0092 0.12 0.12
Echinococcus granulosus hypothetical protein 0.0031 0.0263 0.0263
Mycobacterium tuberculosis Fatty-acid-AMP ligase FadD30 (fatty-acid-AMP synthetase) (fatty-acid-AMP synthase) 0.0017 0.0056 0.0262
Trichomonas vaginalis spcc417.12 protein, putative 0.0017 0.0048 0.0118
Brugia malayi hypothetical protein 0.0017 0.0048 0.0105
Echinococcus multilocularis dna polymerase kappa 0.0019 0.008 0.008
Echinococcus multilocularis aldo keto reductase family 1, member B4 0.0031 0.0263 0.0263
Echinococcus multilocularis geminin 0.0164 0.23 0.23
Trichomonas vaginalis conserved hypothetical protein 0.0024 0.0168 0.0409
Echinococcus granulosus guanine nucleotide binding protein Gs subunit 0.0044 0.0471 0.0471
Echinococcus multilocularis terminal deoxycytidyl transferase rev1 0.0019 0.008 0.008
Brugia malayi ImpB/MucB/SamB family protein 0.0019 0.008 0.0173
Brugia malayi hypoxia-induced factor 1 0.0291 0.4248 0.9191
Entamoeba histolytica aldose reductase, putative 0.0031 0.0263 0.0638
Echinococcus multilocularis tyrosyl DNA phosphodiesterase 1 0.0064 0.0771 0.0771
Toxoplasma gondii aldose reductase, putative 0.0031 0.0263 0.5106
Mycobacterium tuberculosis Probable NADH dehydrogenase Ndh 0.0084 0.107 0.4986
Echinococcus granulosus Aryl hydrocarbon receptor nuclear 0.0024 0.0168 0.0168
Echinococcus granulosus aldehyde reductase 0.0022 0.0127 0.0127
Loa Loa (eye worm) hypoxia-induced factor 1 0.0291 0.4248 0.9191
Trypanosoma brucei prostaglandin f synthase 0.0031 0.0263 0.0617
Echinococcus multilocularis aldo keto reductase family 1, member B4 0.0031 0.0263 0.0263
Plasmodium vivax SET domain protein, putative 0.003 0.0257 0.7278
Brugia malayi SET domain containing protein 0.0092 0.1207 0.2611
Giardia lamblia DINP protein human, muc B family 0.0019 0.008 0.0194
Onchocerca volvulus 0.0031 0.0263 0.0656
Schistosoma mansoni rab geranylgeranyl transferase alpha subunit 0.0019 0.008 0.008
Mycobacterium tuberculosis Probable membrane NADH dehydrogenase NdhA 0.0084 0.107 0.4986
Schistosoma mansoni protein tyrosine phosphatase n11 (shp2) 0.0229 0.3291 0.3291
Schistosoma mansoni tyrosyl-DNA phosphodiesterase 0.0064 0.0771 0.0771
Echinococcus multilocularis para nitrobenzyl esterase 0.0017 0.0048 0.0048
Mycobacterium tuberculosis Probable fatty-acid-CoA ligase FadD35 (fatty-acid-CoA synthetase) (fatty-acid-CoA synthase) 0.0016 0.0042 0.0196
Mycobacterium ulcerans hypothetical protein 0.0023 0.0145 0.0675
Mycobacterium leprae PROBABLE OXIDOREDUCTASE 0.0031 0.0263 0.0763
Trichomonas vaginalis adenylate and guanylate cyclases, putative 0.0024 0.0168 0.0409
Trichomonas vaginalis set domain proteins, putative 0.0231 0.3319 0.8063
Mycobacterium tuberculosis Probable nitrite reductase [NAD(P)H] large subunit [FAD flavoprotein] NirB 0.0084 0.107 0.4986
Echinococcus granulosus aldo keto reductase family 1 member B4 0.0031 0.0263 0.0263
Brugia malayi Carboxylesterase family protein 0.0017 0.0048 0.0105
Echinococcus multilocularis flap endonuclease 1 0.0025 0.0179 0.0179
Schistosoma mansoni family S9 non-peptidase homologue (S09 family) 0.0017 0.0048 0.0048
Brugia malayi chromobox protein homolog 3 0.0038 0.0372 0.0805
Trypanosoma brucei transcription factor BTF3, putative 0.0034 0.0311 0.0731
Mycobacterium tuberculosis NADPH-dependent mycothiol reductase Mtr 0.0037 0.0354 0.1648
Brugia malayi ImpB/MucB/SamB family protein 0.0019 0.008 0.0173
Mycobacterium ulcerans carboxylesterase, LipT 0.0146 0.2024 0.9426
Trichomonas vaginalis aldo-keto reductase, putative 0.0031 0.0263 0.0638
Onchocerca volvulus 0.0031 0.0263 0.0656
Echinococcus multilocularis aldo keto reductase family 1, member B4 0.0031 0.0263 0.0263
Brugia malayi Carboxylesterase family protein 0.0017 0.0048 0.0105
Schistosoma mansoni enhancer of zeste ezh 0.0092 0.1207 0.1207
Mycobacterium tuberculosis Possible DNA-damage-inducible protein P DinP (DNA polymerase V) (pol IV 2) (DNA nucleotidyltransferase (DNA-directed)) 0.0019 0.008 0.0371
Echinococcus granulosus aldo keto reductase family 1 member B4 0.0031 0.0263 0.0263
Echinococcus granulosus dna polymerase eta 0.0019 0.008 0.008
Trichomonas vaginalis aldo-keto reductase, putative 0.0031 0.0263 0.0638
Brugia malayi Flap endonuclease-1 0.0025 0.0179 0.0388
Echinococcus multilocularis histone lysine N methyltransferase SETMAR 0.003 0.0257 0.0257
Leishmania major hypothetical protein, conserved 0.0024 0.0167 0.0209
Loa Loa (eye worm) SET domain-containing protein 0.0092 0.1207 0.2611
Brugia malayi hypothetical protein 0.0316 0.4622 1
Trichomonas vaginalis guanylate cyclase, putative 0.0024 0.0168 0.0409
Onchocerca volvulus Heterochromatin protein 1 homolog 0.0038 0.0372 0.0989
Loa Loa (eye worm) hypothetical protein 0.0017 0.0048 0.0105
Echinococcus granulosus acetylcholinesterase 0.0017 0.0048 0.0048
Mycobacterium ulcerans hypothetical protein 0.0154 0.2147 1
Chlamydia trachomatis two component regulatory system sensor histidine kinase 0.0024 0.0168 1
Toxoplasma gondii thioredoxin reductase 0.0037 0.0354 0.6873
Trichomonas vaginalis aldo-keto reductase, putative 0.0031 0.0263 0.0638
Entamoeba histolytica aldose reductase, putative 0.0031 0.0263 0.0638
Trypanosoma cruzi PAB1-binding protein , putative 0.0024 0.0167 0.0392
Toxoplasma gondii NAC domain-containing protein 0.0034 0.0311 0.605
Entamoeba histolytica acyl-CoA synthetase, putative 0.0023 0.0145 0.0352
Trypanosoma brucei DNA polymerase kappa, putative 0.0019 0.008 0.0187
Trichomonas vaginalis fructose-bisphosphate aldolase, putative 0.0283 0.4117 1
Leishmania major tyrosyl-DNA phosphodiesterase 1 0.0064 0.0771 0.1652
Loa Loa (eye worm) oxidoreductase 0.0031 0.0263 0.0569
Onchocerca volvulus 0.003 0.0247 0.0608
Trichomonas vaginalis adenylate cyclase, type VII, putative 0.0024 0.0168 0.0409
Echinococcus multilocularis BC026374 protein (S09 family) 0.0017 0.0048 0.0048
Trypanosoma cruzi mitochondrial DNA polymerase beta, putative 0.0292 0.4261 1
Trichomonas vaginalis guanylate cyclase, putative 0.0024 0.0168 0.0409
Echinococcus multilocularis aldo keto reductase family 1, member B4 0.0031 0.0263 0.0263
Plasmodium vivax flap endonuclease 1, putative 0.0025 0.0179 0.5073
Echinococcus multilocularis aldo keto reductase family 1, member B4 0.0031 0.0263 0.0263
Schistosoma mansoni pol-related 0.0031 0.0263 0.0263
Brugia malayi Protein-tyrosine phosphatase containing protein 0.0229 0.3291 0.7121
Echinococcus granulosus aldo keto reductase family 1 member B4 0.0031 0.0263 0.0263
Trichomonas vaginalis aldo-keto reductase, putative 0.0031 0.0263 0.0638
Entamoeba histolytica fructose-1,6-bisphosphate aldolase, putative 0.0283 0.4117 1
Mycobacterium tuberculosis Probable fatty-acid-CoA ligase FadD2 (fatty-acid-CoA synthetase) (fatty-acid-CoA synthase) 0.0023 0.0145 0.0675
Trichomonas vaginalis adenylate and guanylate cyclases, putative 0.0024 0.0168 0.0409
Plasmodium falciparum basic transcription factor 3b, putative 0.0034 0.0311 0.8802
Echinococcus granulosus carboxylesterase 5A 0.0017 0.0048 0.0048
Plasmodium vivax glutathione reductase, putative 0.0037 0.0354 1
Onchocerca volvulus 0.0023 0.0145 0.0295
Echinococcus granulosus BC026374 protein S09 family 0.0017 0.0048 0.0048
Trypanosoma cruzi aldo/keto reductase, putative 0.0031 0.0263 0.0617
Echinococcus granulosus acetylcholinesterase 0.0017 0.0048 0.0048
Mycobacterium leprae Possible regulatory protein 0.0024 0.0168 0.0231
Schistosoma mansoni histone-lysine n-methyltransferase setb1 0.003 0.0257 0.0257
Schistosoma mansoni Guanine nucleotide-binding protein G(s) subunit alpha (Adenylate cyclase-stimulating G alpha protein) 0.0044 0.0471 0.0471
Echinococcus granulosus tyrosyl DNA phosphodiesterase 1 0.0064 0.0771 0.0771
Loa Loa (eye worm) carboxylesterase 0.0017 0.0048 0.0105
Mycobacterium leprae PROBABLE FATTY-ACID-CoA LIGASE FADD7 (FATTY-ACID-CoA SYNTHETASE) (FATTY-ACID-CoA SYNTHASE) 0.0023 0.0145 0.01
Trichomonas vaginalis conserved hypothetical protein 0.0024 0.0168 0.0409
Echinococcus multilocularis transcription factor Dp 1 0.0037 0.0359 0.0359
Trichomonas vaginalis chromobox protein, putative 0.0067 0.0825 0.2003
Brugia malayi GTP-binding regulatory protein Gs alpha-S chain, putative 0.0044 0.0471 0.1019
Echinococcus granulosus aldo keto reductase 0.0031 0.0263 0.0263
Mycobacterium ulcerans DNA polymerase IV 0.0019 0.008 0.0371
Leishmania major protein kinase, putative 0.0024 0.0168 0.0212
Echinococcus granulosus aldo keto reductase family 1 member B4 0.0031 0.0263 0.0263
Trypanosoma cruzi flap endonuclease-1 (FEN-1), putative 0.0025 0.0179 0.0421
Loa Loa (eye worm) hypothetical protein 0.0017 0.0056 0.0122
Schistosoma mansoni transcription factor btf3 0.0034 0.0311 0.0311
Trichomonas vaginalis DNA polymerase eta, putative 0.0019 0.008 0.0194
Brugia malayi Carboxylesterase family protein 0.0017 0.0048 0.0105
Brugia malayi hypothetical protein 0.0016 0.0035 0.0076
Loa Loa (eye worm) hypothetical protein 0.0023 0.0145 0.0314
Echinococcus multilocularis aldo keto reductase family 1, member B4 0.0031 0.0263 0.0263
Schistosoma mansoni family S9 non-peptidase homologue (S09 family) 0.0017 0.0048 0.0048
Schistosoma mansoni histone-lysine n-methyltransferase setb1 0.003 0.0257 0.0257
Mycobacterium ulcerans oxidoreductase 0.0031 0.0263 0.1224
Mycobacterium leprae DIHYDROLIPOAMIDE DEHYDROGENASE LPD (LIPOAMIDE REDUCTASE (NADH)) (LIPOYL DEHYDROGENASE) (DIHYDROLIPOYL DEHYDROGENASE) (DIAPHORASE 0.0093 0.1213 0.6104
Echinococcus multilocularis microtubule associated protein 2 0.0668 1 1
Brugia malayi SET domain containing protein 0.0014 0.0001 0.0002
Loa Loa (eye worm) flap endonuclease-1 0.0025 0.0179 0.0388
Trypanosoma brucei DNA polymerase eta, putative 0.0019 0.008 0.0187
Trichomonas vaginalis conserved hypothetical protein 0.0038 0.0372 0.0903
Trypanosoma brucei trypanothione reductase 0.0037 0.0354 0.083
Trichomonas vaginalis chromobox protein, putative 0.0067 0.0825 0.2003
Trichomonas vaginalis fructose-bisphosphate aldolase, putative 0.0283 0.4117 1
Echinococcus granulosus aryl hydrocarbon receptor 0.0024 0.0168 0.0168
Echinococcus multilocularis aldo keto reductase family 1, member B4 0.0031 0.0263 0.0263
Loa Loa (eye worm) hypothetical protein 0.0017 0.0048 0.0105
Onchocerca volvulus 0.0031 0.0263 0.0656
Trypanosoma cruzi mitochondrial DNA polymerase beta-PAK, putative 0.0138 0.1908 0.4478
Mycobacterium tuberculosis Conserved hypothetical protein 0.0154 0.2147 1
Entamoeba histolytica tyrosyl-DNA phosphodiesterase, putative 0.0064 0.0771 0.1872
Echinococcus multilocularis tumor protein p63 0.0327 0.4792 0.4792
Onchocerca volvulus 0.0048 0.0526 0.1459
Trichomonas vaginalis soluble guanylate cyclase gcy, putative 0.0024 0.0168 0.0409
Trichomonas vaginalis aldo/keto reductase, putative 0.0031 0.0263 0.0638
Brugia malayi Thioredoxin reductase 0.0037 0.0354 0.0765
Trichomonas vaginalis adenylate and guanylate cyclases, putative 0.0024 0.0168 0.0409
Mycobacterium tuberculosis NAD(P)H quinone reductase LpdA 0.0093 0.1213 0.5649
Trypanosoma cruzi aldo-keto reductase 0.0031 0.0263 0.0617
Plasmodium falciparum thioredoxin reductase 0.0037 0.0354 1
Trypanosoma brucei DNA polymerase beta thumb, putative 0.0041 0.0422 0.0991
Trypanosoma cruzi DNA polymerase beta thumb, putative 0.0041 0.0422 0.0991
Echinococcus granulosus tar DNA binding protein 0.0061 0.0731 0.0731
Trypanosoma cruzi STE group serine/threonine-protein kinase, putative 0.0024 0.0168 0.0395
Plasmodium falciparum acyl-CoA synthetase 0.0017 0.0056 0.1592
Trypanosoma cruzi DNA polymerase kappa, putative 0.0019 0.008 0.0187
Entamoeba histolytica aldose reductase, putative 0.0031 0.0263 0.0638
Echinococcus multilocularis aldo keto reductase 0.0031 0.0263 0.0263
Mycobacterium tuberculosis POSSIBLE PARA-NITROBENZYL ESTERASE (FRAGMENT) 0.0017 0.0048 0.0226
Mycobacterium tuberculosis Dihydrolipoamide dehydrogenase LpdC (lipoamide reductase (NADH)) (lipoyl dehydrogenase) (dihydrolipoyl dehydrogenase) (diaphoras 0.0093 0.1213 0.5649
Loa Loa (eye worm) hypothetical protein 0.0048 0.0526 0.1138
Onchocerca volvulus Heterochromatin protein 1 homolog 0.0041 0.0416 0.1123
Schistosoma mansoni tar DNA-binding protein 0.0061 0.0731 0.0731
Brugia malayi PAS domain containing protein 0.0094 0.1233 0.2668
Brugia malayi oxidoreductase, aldo/keto reductase family protein 0.0031 0.0263 0.0569
Schistosoma mansoni histone-lysine n-methyltransferase setb1 0.003 0.0257 0.0257
Mycobacterium tuberculosis Probable fatty-acid-CoA ligase FadD3 (fatty-acid-CoA synthetase) (fatty-acid-CoA synthase) 0.0016 0.0042 0.0196
Entamoeba histolytica deoxycytidyl transferase, putative 0.0019 0.008 0.0194
Mycobacterium ulcerans fatty-acid-CoA ligase 0.0017 0.0056 0.0262
Mycobacterium ulcerans fatty-acid-CoA ligase 0.0023 0.0145 0.0675
Giardia lamblia Aldose reductase 0.0031 0.0263 0.0638
Trypanosoma brucei DNA polymerase kappa, putative 0.0019 0.008 0.0187
Toxoplasma gondii histone lysine methyltransferase SET/SUV39 0.003 0.0257 0.5002
Brugia malayi Pre-SET motif family protein 0.0203 0.2894 0.6262
Onchocerca volvulus 0.0031 0.0263 0.0656
Trichomonas vaginalis aldo-keto reductase, putative 0.0031 0.0263 0.0638
Echinococcus multilocularis aldehyde reductase 0.0022 0.0127 0.0127
Loa Loa (eye worm) oxidoreductase 0.0031 0.0263 0.0569
Schistosoma mansoni single-minded 0.0094 0.1233 0.1233
Trypanosoma cruzi PAS-domain containing phosphoglycerate kinase, putative 0.0024 0.0168 0.0395
Schistosoma mansoni hypothetical protein 0.0164 0.23 0.23
Loa Loa (eye worm) hypothetical protein 0.0024 0.0167 0.0362
Loa Loa (eye worm) RNA binding protein 0.0061 0.0731 0.1582
Trypanosoma brucei DNA polymerase IV, putative 0.0019 0.008 0.0187
Echinococcus granulosus aldo keto reductase family 1 member B4 0.0031 0.0263 0.0263
Echinococcus granulosus single minded 2 0.007 0.0859 0.0859
Loa Loa (eye worm) hypothetical protein 0.0017 0.0048 0.0105
Trichomonas vaginalis aldo-keto reductase, putative 0.0031 0.0263 0.0638
Leishmania major aldo-keto reductase-like protein 0.0031 0.0263 0.0438
Mycobacterium tuberculosis Probable oxidoreductase 0.0031 0.0263 0.1224
Loa Loa (eye worm) hypothetical protein 0.0023 0.0145 0.0314
Trichomonas vaginalis adenylate cyclase, putative 0.0024 0.0168 0.0409
Trichomonas vaginalis aldo/keto reductase, putative 0.0031 0.0263 0.0638
Onchocerca volvulus 0.007 0.0859 0.2479
Brugia malayi Carboxylesterase family protein 0.0017 0.0048 0.0105
Mycobacterium ulcerans long-chain-fatty-acid-CoA ligase 0.0023 0.0145 0.0675
Loa Loa (eye worm) protein-tyrosine phosphatase 0.0229 0.3291 0.7121
Echinococcus multilocularis acetylcholinesterase 0.0017 0.0048 0.0048
Echinococcus multilocularis chromobox protein 1 0.0067 0.0825 0.0825
Loa Loa (eye worm) hypothetical protein 0.003 0.0247 0.0535
Trypanosoma cruzi DNA polymerase kappa, putative 0.0019 0.008 0.0187
Onchocerca volvulus 0.0231 0.3319 1
Trypanosoma cruzi mitochondrial DNA polymerase beta-PAK, putative 0.0041 0.0422 0.0991
Trypanosoma cruzi PAB1-binding protein , putative 0.0024 0.0167 0.0392
Trichomonas vaginalis aldo-keto reductase, putative 0.0031 0.0263 0.0638
Leishmania major aldehyde reductase, putative,oxidoreductase, putative 0.0031 0.0263 0.0438
Trypanosoma cruzi tyrosyl-DNA Phosphodiesterase (Tdp1), putative 0.0064 0.0771 0.1809
Loa Loa (eye worm) hypothetical protein 0.0017 0.0048 0.0105
Entamoeba histolytica acyl-CoA synthetase, putative 0.0023 0.0145 0.0352
Trypanosoma cruzi DNA polymerase beta thumb, putative 0.0041 0.0422 0.0991
Trypanosoma cruzi DNA polymerase kappa, putative 0.0019 0.008 0.0187
Mycobacterium tuberculosis POSSIBLE PARA-NITROBENZYL ESTERASE (FRAGMENT) 0.0017 0.0048 0.0226
Giardia lamblia Aldose reductase 0.0031 0.0263 0.0638
Plasmodium falciparum ataxin-2 like protein, putative 0.0024 0.0167 0.4724
Trichomonas vaginalis aldo-keto reductase, putative 0.0031 0.0263 0.0638
Echinococcus multilocularis aldo keto reductase family 1, member B4 0.0031 0.0263 0.0263
Plasmodium falciparum glutathione reductase 0.0037 0.0354 1
Loa Loa (eye worm) hypothetical protein 0.0031 0.0263 0.0569
Echinococcus granulosus histone lysine methyltransferase setb 0.003 0.0257 0.0257
Leishmania major PAS-domain containing phosphoglycerate kinase, putative 0.0024 0.0168 0.0212
Trichomonas vaginalis conserved hypothetical protein 0.0027 0.0203 0.0494
Loa Loa (eye worm) hypothetical protein 0.0023 0.0145 0.0314
Trichomonas vaginalis fructose-bisphosphate aldolase, putative 0.0283 0.4117 1
Schistosoma mansoni tar DNA-binding protein 0.0061 0.0731 0.0731
Trichomonas vaginalis aldo-keto reductase, putative 0.0031 0.0263 0.0638
Entamoeba histolytica transcription factor BTF3, putative 0.0034 0.0311 0.0756
Echinococcus granulosus geminin 0.0164 0.23 0.23
Trichomonas vaginalis carboxylesterase domain containing protein, putative 0.0017 0.0048 0.0118
Schistosoma mansoni cellular tumor antigen P53 0.0048 0.0526 0.0526
Echinococcus granulosus thioredoxin glutathione reductase 0.0037 0.0361 0.0361
Trypanosoma brucei flap endonuclease-1 (FEN-1), putative 0.0025 0.0179 0.0421
Echinococcus multilocularis chromobox protein 1 0.0067 0.0825 0.0825
Loa Loa (eye worm) acetylcholinesterase 1 0.0017 0.0048 0.0105
Trypanosoma cruzi STE group serine/threonine-protein kinase, putative 0.0024 0.0168 0.0395
Echinococcus granulosus polycomb protein suz12 A 0.0315 0.4612 0.4612
Entamoeba histolytica hypothetical protein 0.0034 0.0311 0.0756
Trypanosoma brucei DNA polymerase kappa, putative 0.0019 0.008 0.0187
Trichomonas vaginalis fructose-bisphosphate aldolase, putative 0.0283 0.4117 1
Trichomonas vaginalis flap endonuclease-1, putative 0.0025 0.0179 0.0436
Echinococcus multilocularis tyrosine protein phosphatase non receptor type 0.0229 0.3291 0.3291
Trichomonas vaginalis dihydrodiol dehydrogenase, putative 0.0031 0.0263 0.0638
Mycobacterium tuberculosis Probable reductase 0.0084 0.107 0.4986
Mycobacterium tuberculosis Probable chain -fatty-acid-CoA ligase FadD13 (fatty-acyl-CoA synthetase) 0.0023 0.0145 0.0675
Trichomonas vaginalis dihydrodiol dehydrogenase, putative 0.0031 0.0263 0.0638
Loa Loa (eye worm) hypothetical protein 0.0017 0.0056 0.0122
Entamoeba histolytica Flap nuclease, putative 0.0025 0.0179 0.0436
Echinococcus granulosus chromobox protein 1 0.0067 0.0825 0.0825
Echinococcus multilocularis aldo keto reductase family 1, member B4 0.0031 0.0263 0.0263
Trypanosoma brucei DNA polymerase kappa, putative 0.0019 0.008 0.0187
Trypanosoma cruzi PAS-domain containing phosphoglycerate kinase, putative 0.0024 0.0168 0.0395
Mycobacterium tuberculosis Conserved hypothetical protein 0.0019 0.008 0.0371
Loa Loa (eye worm) hypothetical protein 0.0017 0.0056 0.0122
Schistosoma mansoni family S9 non-peptidase homologue (S09 family) 0.0017 0.0048 0.0048
Brugia malayi AMP-binding enzyme family protein 0.0023 0.0145 0.0314
Loa Loa (eye worm) hypothetical protein 0.0019 0.008 0.0173
Trichomonas vaginalis aldo-keto reductase, putative 0.0031 0.0263 0.0638
Toxoplasma gondii flap structure-specific endonuclease 1, putative 0.0025 0.0179 0.3487
Mycobacterium tuberculosis Probable fructose-bisphosphate aldolase Fba 0.0138 0.1906 0.8877
Brugia malayi WD domain containing protein 0.0092 0.12 0.2596
Echinococcus multilocularis histone lysine methyltransferase setb histone lysine methyltransferase eggless 0.003 0.0257 0.0257
Onchocerca volvulus 0.0024 0.0168 0.0366
Onchocerca volvulus 0.0031 0.0263 0.0656
Loa Loa (eye worm) pre-SET domain-containing protein family protein 0.0203 0.2894 0.6262
Onchocerca volvulus 0.0075 0.0933 0.2705
Brugia malayi TAR-binding protein 0.0061 0.0731 0.1582
Mycobacterium ulcerans fructose-bisphosphate aldolase 0.0138 0.1906 0.8877
Loa Loa (eye worm) heterochromatin protein 1 0.0067 0.0825 0.1784
Loa Loa (eye worm) GTP-binding regulatory protein Gs alpha-S chain 0.0044 0.0471 0.1019
Trypanosoma brucei DNA polymerase kappa, putative 0.0019 0.008 0.0187
Leishmania major mitochondrial DNA polymerase beta 0.0292 0.4261 1
Brugia malayi AMP-binding enzyme family protein 0.0023 0.0145 0.0314
Loa Loa (eye worm) aryl Hydrocarbon receptor Associated protein family member 0.0024 0.0168 0.0364
Schistosoma mansoni family S9 non-peptidase homologue (S09 family) 0.0017 0.0048 0.0048
Trypanosoma brucei PAB1-binding protein , putative 0.0024 0.0167 0.0392
Loa Loa (eye worm) hypothetical protein 0.0017 0.0048 0.0105
Leishmania major protein kinase, putative 0.0024 0.0168 0.0212
Schistosoma mansoni acetylcholinesterase 0.0017 0.0048 0.0048
Loa Loa (eye worm) oxidoreductase 0.0031 0.0263 0.0569
Mycobacterium ulcerans acyl-CoA synthetase 0.0023 0.0145 0.0675
Schistosoma mansoni Guanine nucleotide-binding protein G(s) subunit alpha (Adenylate cyclase-stimulating G alpha protein) 0.0044 0.0471 0.0471
Leishmania major 4-coumarate:coa ligase-like protein 0.0023 0.0145 0.0156
Loa Loa (eye worm) carboxylesterase 0.0017 0.0048 0.0105
Echinococcus multilocularis family S9 non peptidase ue (S09 family) 0.0017 0.0048 0.0048
Mycobacterium tuberculosis Probable oxidoreductase 0.0093 0.1213 0.5649
Loa Loa (eye worm) WD domain-containing protein 0.0092 0.12 0.2596
Trypanosoma brucei mitochondrial DNA polymerase beta 0.0292 0.4261 1
Echinococcus multilocularis tar DNA binding protein 0.0061 0.0731 0.0731
Trypanosoma brucei DNA polymerase kappa, putative 0.0019 0.008 0.0187
Trichomonas vaginalis conserved hypothetical protein 0.0034 0.0311 0.0756
Echinococcus granulosus aldo keto reductase family 1 member B4 0.0031 0.0263 0.0263
Echinococcus multilocularis histone lysine N methyltransferase E(z) 0.0092 0.1207 0.1207
Mycobacterium ulcerans long-chain-fatty-acid--CoA ligase 0.0023 0.0145 0.0675
Echinococcus multilocularis polycomb protein suz12 A 0.0315 0.4612 0.4612
Leishmania major trypanothione reductase 0.0037 0.0354 0.0655
Leishmania major 4-coumarate:coa ligase-like protein 0.0023 0.0145 0.0156
Trypanosoma cruzi mitochondrial DNA polymerase beta-PAK, putative 0.005 0.056 0.1314
Echinococcus multilocularis acetylcholinesterase 0.0017 0.0048 0.0048
Brugia malayi RNA recognition motif domain containing protein 0.0061 0.0731 0.1582
Loa Loa (eye worm) ImpB/MucB/SamB family protein 0.0019 0.008 0.0173
Schistosoma mansoni terminal deoxycytidyl transferase 0.0019 0.008 0.008
Echinococcus multilocularis aldo keto reductase family 1, member B4 0.0031 0.0263 0.0263
Trichomonas vaginalis conserved hypothetical protein 0.0024 0.0168 0.0409
Entamoeba histolytica fructose-1,6-bisphosphate aldolase, putative 0.0283 0.4117 1
Echinococcus granulosus guanine nucleotide binding protein Gs subunit 0.0044 0.0471 0.0471
Mycobacterium leprae PROBABLE NADH DEHYDROGENASE NDH 0.0084 0.107 0.5303
Plasmodium falciparum ataxin-2 like protein, putative 0.0024 0.0167 0.4724
Trypanosoma brucei mitochondrial DNA polymerase beta-PAK 0.0138 0.1908 0.4478
Leishmania major flap endonuclease-1 (FEN-1), putative 0.0025 0.0179 0.0239
Trypanosoma brucei aldo-keto reductase, putative 0.0031 0.0263 0.0617
Schistosoma mansoni BC026374 protein (S09 family) 0.0017 0.0048 0.0048
Schistosoma mansoni tar DNA-binding protein 0.0061 0.0731 0.0731
Schistosoma mansoni chromobox protein 0.0067 0.0825 0.0825
Mycobacterium tuberculosis Probable dehydrogenase 0.0084 0.107 0.4986
Echinococcus multilocularis transcription factor btf3 0.0034 0.0311 0.0311
Plasmodium vivax basic transcription factor 3b, putative 0.0034 0.0311 0.8802
Schistosoma mansoni hypothetical protein 0.0315 0.4612 0.4612
Schistosoma mansoni Guanine nucleotide-binding protein G(s) subunit alpha (Adenylate cyclase-stimulating G alpha protein) 0.0044 0.0471 0.0471
Brugia malayi hypothetical protein 0.0024 0.0167 0.0362
Mycobacterium ulcerans DNA polymerase IV 0.0019 0.008 0.0371
Echinococcus granulosus aldo keto reductase family 1 member B4 0.0031 0.0263 0.0263
Echinococcus granulosus family S9 non peptidase ue S09 family 0.0017 0.0048 0.0048
Trichomonas vaginalis chromobox protein, putative 0.0041 0.0416 0.101
Mycobacterium tuberculosis Probable fatty-acid-CoA ligase FadD5 (fatty-acid-CoA synthetase) (fatty-acid-CoA synthase) 0.0016 0.0042 0.0196
Trypanosoma brucei unspecified product 0.0019 0.008 0.0187
Trypanosoma cruzi tyrosyl-DNA Phosphodiesterase (Tdp1), putative 0.0064 0.0771 0.1809
Brugia malayi oxidoreductase, aldo/keto reductase family protein 0.0031 0.0263 0.0569
Trypanosoma brucei DNA polymerase IV, putative 0.0019 0.008 0.0187
Trichomonas vaginalis conserved hypothetical protein 0.0034 0.0311 0.0756
Echinococcus granulosus 5'partial|histone lysine N methyltransferase SETDB2 0.0028 0.022 0.022
Brugia malayi oxidoreductase, aldo/keto reductase family protein 0.0031 0.0263 0.0569
Schistosoma mansoni DNA polymerase eta 0.0019 0.008 0.008
Echinococcus multilocularis aldo keto reductase family 1, member B4 0.0031 0.0263 0.0263
Loa Loa (eye worm) hypothetical protein 0.0017 0.0048 0.0105
Giardia lamblia Flap structure-specific endonuclease 0.0025 0.0179 0.0436
Schistosoma mansoni chromobox protein 0.0067 0.0825 0.0825
Loa Loa (eye worm) tyrosyl-DNA phosphodiesterase 0.0064 0.0771 0.1667
Brugia malayi Carboxylesterase family protein 0.0017 0.0048 0.0105
Loa Loa (eye worm) hypothetical protein 0.0316 0.4622 1
Loa Loa (eye worm) RNA recognition domain-containing protein domain-containing protein 0.0061 0.0731 0.1582
Loa Loa (eye worm) hypothetical protein 0.0017 0.0048 0.0105
Echinococcus granulosus aldo keto reductase family 1 member B4 0.0031 0.0263 0.0263
Trichomonas vaginalis aldo-keto reductase, putative 0.0031 0.0263 0.0638
Schistosoma mansoni histone-lysine n-methyltransferase suv9 0.0041 0.0426 0.0426
Schistosoma mansoni tar DNA-binding protein 0.0061 0.0731 0.0731
Echinococcus multilocularis aldo keto reductase 0.0031 0.0263 0.0263
Echinococcus granulosus histone lysine N methyltransferase Ez 0.0092 0.1207 0.1207
Toxoplasma gondii hypothetical protein 0.0047 0.0515 1
Echinococcus multilocularis guanine nucleotide binding protein G(s) subunit 0.0044 0.0471 0.0471
Echinococcus multilocularis aldo keto reductase 0.0031 0.0263 0.0263
Loa Loa (eye worm) hypothetical protein 0.0038 0.0372 0.0805
Trypanosoma cruzi STE/STE11 serine/threonine-protein kinase, putative 0.0024 0.0168 0.0395
Mycobacterium ulcerans long-chain fatty-acid CoA ligase 0.0023 0.0145 0.0675
Trypanosoma brucei DNA polymerase kappa, putative 0.0019 0.008 0.0187
Schistosoma mansoni aldo-keto reductase 0.0031 0.0263 0.0263
Loa Loa (eye worm) hypothetical protein 0.0024 0.0168 0.0364
Echinococcus multilocularis aldo keto reductase 0.0031 0.0263 0.0263
Loa Loa (eye worm) hypothetical protein 0.0017 0.0056 0.0122
Trypanosoma brucei DNA polymerase kappa, putative 0.0019 0.008 0.0187
Echinococcus multilocularis Aryl hydrocarbon receptor nuclear 0.0024 0.0168 0.0168
Trichomonas vaginalis DNA polymerase IV / kappa, putative 0.0019 0.008 0.0194
Brugia malayi Carboxylesterase family protein 0.0017 0.0048 0.0105
Echinococcus granulosus aldo keto reductase family 1 member B4 0.0031 0.0263 0.0263
Mycobacterium tuberculosis Probable fatty-acid-CoA ligase FadD7 (fatty-acid-CoA synthetase) (fatty-acid-CoA synthase) 0.0016 0.0042 0.0196
Mycobacterium ulcerans putative regulatory protein 0.007 0.0859 0.4002
Schistosoma mansoni neuroligin 3 (S09 family) 0.0017 0.0048 0.0048
Giardia lamblia Fructose-bisphosphate aldolase 0.0283 0.4117 1
Plasmodium falciparum flap endonuclease 1 0.0025 0.0179 0.5073
Echinococcus multilocularis aryl hydrocarbon receptor 0.0024 0.0168 0.0168
Echinococcus granulosus chromobox protein 1 0.0067 0.0825 0.0825
Trypanosoma cruzi DNA polymerase kappa, putative 0.0019 0.008 0.0187
Echinococcus granulosus flap endonuclease 1 0.0025 0.0179 0.0179
Trichomonas vaginalis fructose-bisphosphate aldolase, putative 0.0283 0.4117 1
Trichomonas vaginalis fructose-bisphosphate aldolase, putative 0.0283 0.4117 1
Loa Loa (eye worm) TAR-binding protein 0.0061 0.0731 0.1582
Onchocerca volvulus 0.0031 0.0263 0.0656
Mycobacterium tuberculosis Carboxylesterase LipT 0.0146 0.2024 0.9426
Brugia malayi hypothetical protein 0.0075 0.0933 0.2019
Treponema pallidum fructose-bisphosphate aldolase 0.0283 0.4117 0.5
Trichomonas vaginalis conserved hypothetical protein 0.0038 0.0372 0.0903

Activities

Activity type Activity value Assay description Source Reference
Inhibition (binding) = 37 % Inhibition of norepinephrine reuptake at human NET expressed in HEK293 cells at 0.1 uM after 15 mins by fluorescence neurotransmitter transporter assay ChEMBL. 24974340
Inhibition (binding) = 94 % Inhibition of serotonin reuptake at human SERT expressed in HEK293 cells at 0.1 uM after 15 mins by fluorescence neurotransmitter transporter assay ChEMBL. 24974340
Inhibition (binding) = 94 % Inhibition of DA reuptake at human DAT expressed in HEK293 cells at 0.1 uM after 15 mins by fluorescence neurotransmitter transporter assay ChEMBL. 24974340

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

1 literature reference was collected for this gene.

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