Detailed information for compound 1578515

Basic information

Technical information
  • TDR Targets ID: 1578515
  • Name: N'-[(3,4-difluorophenyl)methyl]-N-(3-imidazol -1-yl-1,2,4-thiadiazol-5-yl)-N-methylpropane- 1,3-diamine
  • MW: 364.416 | Formula: C16H18F2N6S
  • H donors: 1 H acceptors: 3 LogP: 2.92 Rotable bonds: 8
    Rule of 5 violations (Lipinski): 1
  • SMILES: CN(c1snc(n1)n1cncc1)CCCNCc1ccc(c(c1)F)F
  • InChi: 1S/C16H18F2N6S/c1-23(16-21-15(22-25-16)24-8-6-20-11-24)7-2-5-19-10-12-3-4-13(17)14(18)9-12/h3-4,6,8-9,11,19H,2,5,7,10H2,1H3
  • InChiKey: RYKMTOYFGWGGEU-UHFFFAOYSA-N  


Substructure search Similarity search

Network

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Synonyms

  • N'-[(3,4-difluorophenyl)methyl]-N-(3-imidazol-1-yl-1,2,4-thiadiazol-5-yl)-N-methyl-propane-1,3-diamine
  • N'-[(3,4-difluorophenyl)methyl]-N-[3-(1-imidazolyl)-1,2,4-thiadiazol-5-yl]-N-methylpropane-1,3-diamine
  • 3-[(3,4-difluorobenzyl)amino]propyl-(3-imidazol-1-yl-1,2,4-thiadiazol-5-yl)-methyl-amine

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 Carboxylesterase family protein 0.0888 0.2896 1
Echinococcus granulosus bromodomain adjacent to zinc finger domain 0.0039 0.0055 0.0176
Trypanosoma cruzi JmjC domain, hydroxylase, putative 0.0036 0.0047 0.046
Echinococcus multilocularis bromodomain adjacent to zinc finger domain 0.0064 0.014 0.047
Trypanosoma brucei Heat shock protein 83, putative 0.0035 0.0043 0.1149
Echinococcus multilocularis lysine specific histone demethylase 1A 0.0212 0.0635 0.2184
Echinococcus multilocularis carboxylesterase 5A 0.0888 0.2896 1
Leishmania major hypothetical protein, conserved 0.0036 0.0047 0.046
Loa Loa (eye worm) hypothetical protein 0.0212 0.0635 0.2195
Trypanosoma brucei heat shock protein 90, putative 0.0035 0.0043 0.1149
Trichomonas vaginalis fructose-bisphosphate aldolase, putative 0.0313 0.0974 1
Echinococcus granulosus arachidonate 5 lipoxygenase 0.0059 0.0124 0.0415
Loa Loa (eye worm) jmjC domain-containing protein 0.0036 0.0047 0.0163
Loa Loa (eye worm) hypothetical protein 0.0212 0.0635 0.2195
Brugia malayi hypothetical protein 0.0052 0.01 0.0294
Loa Loa (eye worm) carboxylesterase 0.0888 0.2896 1
Entamoeba histolytica fructose-1,6-bisphosphate aldolase, putative 0.0313 0.0974 1
Trypanosoma brucei heat shock protein 90, putative 0.0035 0.0043 0.1149
Trypanosoma brucei PAB1-binding protein , putative 0.0052 0.01 1
Giardia lamblia PHD finger protein 15 0.006 0.0127 0.1136
Echinococcus multilocularis BC026374 protein (S09 family) 0.015 0.0428 0.1465
Echinococcus multilocularis para nitrobenzyl esterase 0.015 0.0428 0.1465
Mycobacterium tuberculosis POSSIBLE PARA-NITROBENZYL ESTERASE (FRAGMENT) 0.015 0.0428 0.0441
Trypanosoma cruzi isocitrate dehydrogenase [NADP], mitochondrial precursor, putative 0.0033 0.0035 0.0264
Brugia malayi hypothetical protein 0.0034 0.0038 0.008
Brugia malayi jmjC domain containing protein 0.0138 0.0387 0.1291
Mycobacterium leprae Probable fructose bisphosphate aldolase Fba 0.0153 0.0438 0.6794
Echinococcus granulosus heat shock protein 0.0035 0.0043 0.0133
Mycobacterium ulcerans oxidoreductase 0.0212 0.0635 0.0618
Mycobacterium tuberculosis Probable fructose-bisphosphate aldolase Fba 0.0153 0.0438 0.0452
Schistosoma mansoni acetyl-CoA C-acetyltransferase 0.0024 0.0007 0.0024
Entamoeba histolytica fructose-1,6-bisphosphate aldolase, putative 0.0313 0.0974 1
Schistosoma mansoni family S9 non-peptidase homologue (S09 family) 0.015 0.0428 0.1477
Schistosoma mansoni jumonji/arid domain-containing protein 0.0138 0.0387 0.1337
Brugia malayi jmjC domain containing protein 0.026 0.0796 0.271
Loa Loa (eye worm) hypothetical protein 0.015 0.0428 0.1477
Loa Loa (eye worm) MH2 domain-containing protein 0.0246 0.075 0.259
Echinococcus multilocularis heat shock protein 0.0035 0.0043 0.0133
Echinococcus granulosus jumonji domain containing 1A 0.0036 0.0047 0.0149
Loa Loa (eye worm) carboxylesterase 0.015 0.0428 0.1477
Echinococcus multilocularis geminin 0.0168 0.0488 0.1674
Schistosoma mansoni hypothetical protein 0.0034 0.0039 0.0135
Schistosoma mansoni acetylcholinesterase 0.015 0.0428 0.1477
Trypanosoma cruzi PAB1-binding protein , putative 0.0052 0.01 0.1317
Mycobacterium tuberculosis Conserved hypothetical protein 0.0212 0.0635 0.0665
Schistosoma mansoni Guanine nucleotide-binding protein G(s) subunit alpha (Adenylate cyclase-stimulating G alpha protein) 0.0049 0.009 0.0311
Loa Loa (eye worm) hypothetical protein 0.0049 0.0091 0.0316
Echinococcus granulosus acetylcholinesterase 0.0888 0.2896 1
Echinococcus granulosus lysine specific demethylase 5A 0.0138 0.0387 0.1325
Echinococcus multilocularis bromodomain adjacent to zinc finger domain 0.0039 0.0055 0.0176
Brugia malayi Calcitonin receptor-like protein seb-1 0.0049 0.0091 0.0264
Toxoplasma gondii LsmAD domain-containing protein 0.0052 0.01 0.1081
Echinococcus multilocularis NADP dependent isocitrate dehydrogenase 0.0033 0.0035 0.0107
Schistosoma mansoni Guanine nucleotide-binding protein G(s) subunit alpha (Adenylate cyclase-stimulating G alpha protein) 0.0049 0.009 0.0311
Loa Loa (eye worm) hypothetical protein 0.015 0.0428 0.1477
Brugia malayi GTP-binding regulatory protein Gs alpha-S chain, putative 0.0049 0.009 0.0259
Loa Loa (eye worm) transcription factor SMAD2 0.0246 0.075 0.259
Loa Loa (eye worm) endoplasmin 0.0035 0.0043 0.0147
Leishmania major heat shock protein 83-1 0.0035 0.0043 0.0385
Echinococcus granulosus guanine nucleotide binding protein Gs subunit 0.0049 0.009 0.0297
Trichomonas vaginalis fructose-bisphosphate aldolase, putative 0.0313 0.0974 1
Loa Loa (eye worm) hypothetical protein 0.0044 0.0072 0.0249
Schistosoma mansoni endoplasmin 0.0035 0.0043 0.0147
Loa Loa (eye worm) hypothetical protein 0.012 0.0327 0.113
Plasmodium falciparum protoporphyrinogen oxidase 0.0212 0.0635 1
Wolbachia endosymbiont of Brugia malayi heat shock protein 90 0.0028 0.0019 0.5
Trypanosoma cruzi UDP-galactopyranose mutase 0.0212 0.0635 1
Loa Loa (eye worm) hypothetical protein 0.015 0.0428 0.1477
Trypanosoma brucei heat shock protein, putative 0.0035 0.0043 0.1149
Schistosoma mansoni hypothetical protein 0.0023 0.0004 0.0014
Loa Loa (eye worm) pigment dispersing factor receptor c 0.0049 0.0091 0.0316
Echinococcus granulosus lysine specific demethylase 6a 0.0036 0.0047 0.0149
Leishmania major heat shock protein 83-1 0.0035 0.0043 0.0385
Echinococcus multilocularis isocitrate dehydrogenase 2 (NADP+) 0.0033 0.0035 0.0107
Brugia malayi Carboxylesterase family protein 0.015 0.0428 0.1432
Mycobacterium ulcerans carboxylesterase, LipT 0.015 0.0428 0.041
Schistosoma mansoni jumonji/arid domain-containing protein 0.0138 0.0387 0.1337
Echinococcus granulosus Transcription factor JmjC domain containing protein 0.026 0.0796 0.2738
Echinococcus granulosus endoplasmin 0.0028 0.0019 0.0051
Toxoplasma gondii histone lysine demethylase JMJC1/KDM5D/JARID1D 0.0036 0.0047 0.0202
Treponema pallidum fructose-bisphosphate aldolase 0.0313 0.0974 1
Plasmodium vivax heat shock protein 86, putative 0.0035 0.0043 0.0124
Onchocerca volvulus 0.015 0.0428 0.5913
Mycobacterium ulcerans flavin-containing monoamine oxidase AofH 0.3012 1 1
Brugia malayi jmjC domain containing protein 0.0036 0.0047 0.0111
Leishmania major heat shock protein 83-1 0.0035 0.0043 0.0385
Trichomonas vaginalis fructose-bisphosphate aldolase, putative 0.0313 0.0974 1
Leishmania major heat shock protein 83-1 0.0035 0.0043 0.0385
Loa Loa (eye worm) hypothetical protein 0.0041 0.0064 0.022
Echinococcus granulosus family S9 non peptidase ue S09 family 0.015 0.0428 0.1465
Echinococcus multilocularis lysine specific demethylase 5A 0.0136 0.038 0.1302
Loa Loa (eye worm) isocitrate dehydrogenase 0.0033 0.0035 0.0121
Schistosoma mansoni bromodomain containing protein 0.0068 0.0153 0.0528
Leishmania major heat shock protein 83-1 0.0035 0.0043 0.0385
Echinococcus granulosus heat shock protein 90 0.0028 0.0019 0.0051
Echinococcus multilocularis phd:f box containing protein 0.0036 0.0047 0.0149
Plasmodium vivax hypothetical protein, conserved 0.006 0.0127 0.1535
Toxoplasma gondii histone lysine-specific demethylase LSD1/BHC110/KDMA1A 0.0212 0.0635 1
Brugia malayi isocitrate dehydrogenase 0.0033 0.0035 0.0069
Loa Loa (eye worm) hypothetical protein 0.0052 0.01 0.0345
Trypanosoma brucei heat shock protein, putative 0.0035 0.0043 0.1149
Brugia malayi amine oxidase, flavin-containing family protein 0.0212 0.0635 0.2153
Loa Loa (eye worm) hypothetical protein 0.0888 0.2896 1
Trichomonas vaginalis fructose-bisphosphate aldolase, putative 0.0313 0.0974 1
Echinococcus multilocularis lysine specific demethylase 6a 0.0036 0.0047 0.0149
Plasmodium falciparum ataxin-2 like protein, putative 0.0052 0.01 0.1081
Brugia malayi latrophilin 2 splice variant baaae 0.0034 0.0039 0.0083
Echinococcus multilocularis family S9 non peptidase ue (S09 family) 0.015 0.0428 0.1465
Schistosoma mansoni bromodomain-containing nuclear protein 1 brd1 0.006 0.0127 0.044
Leishmania major heat shock protein 83-1 0.0035 0.0043 0.0385
Echinococcus granulosus acetylcholinesterase 0.0888 0.2896 1
Loa Loa (eye worm) GTP-binding regulatory protein Gs alpha-S chain 0.0049 0.009 0.0311
Echinococcus granulosus para nitrobenzyl esterase 0.015 0.0428 0.1465
Brugia malayi Bromodomain containing protein 0.008 0.0195 0.0623
Plasmodium vivax hypothetical protein, conserved 0.0212 0.0635 1
Loa Loa (eye worm) hypothetical protein 0.0036 0.0047 0.0163
Loa Loa (eye worm) hypothetical protein 0.015 0.0428 0.1477
Loa Loa (eye worm) hypothetical protein 0.0212 0.0635 0.2195
Giardia lamblia Heat shock protein HSP 90-alpha 0.0035 0.0043 0.0248
Schistosoma mansoni jumonji domain containing protein 0.0036 0.0047 0.0163
Leishmania major hypothetical protein, conserved 0.0052 0.01 0.1317
Giardia lamblia Fructose-bisphosphate aldolase 0.0313 0.0974 1
Trypanosoma brucei heat shock protein, putative 0.0035 0.0043 0.1149
Echinococcus multilocularis 0.0212 0.0635 0.2184
Echinococcus multilocularis jumonji domain containing 1A 0.0036 0.0047 0.0149
Loa Loa (eye worm) hypothetical protein 0.0046 0.0079 0.0273
Schistosoma mansoni family S9 non-peptidase homologue (S09 family) 0.0888 0.2896 1
Plasmodium falciparum conserved Plasmodium protein, unknown function 0.0212 0.0635 1
Mycobacterium ulcerans fructose-bisphosphate aldolase 0.0153 0.0438 0.042
Trypanosoma cruzi Heat shock protein 83, putative 0.0035 0.0043 0.0385
Loa Loa (eye worm) hypothetical protein 0.006 0.0127 0.044
Echinococcus multilocularis acetylcholinesterase 0.0888 0.2896 1
Schistosoma mansoni phd/f-box containing protein 0.0036 0.0047 0.0163
Schistosoma mansoni neuroligin 3 (S09 family) 0.015 0.0428 0.1477
Leishmania major heat shock protein 83-1 0.0035 0.0043 0.0385
Schistosoma mansoni BC026374 protein (S09 family) 0.015 0.0428 0.1477
Trypanosoma brucei heat shock protein, putative 0.0035 0.0043 0.1149
Loa Loa (eye worm) heat shock protein 90 0.0035 0.0043 0.0147
Onchocerca volvulus 0.015 0.0428 0.5913
Mycobacterium tuberculosis Possible oxidoreductase 0.0212 0.0635 0.0665
Plasmodium vivax hypothetical protein, conserved 0.0212 0.0635 1
Schistosoma mansoni endoplasmin 0.0035 0.0043 0.0147
Trichomonas vaginalis fructose-bisphosphate aldolase, putative 0.0313 0.0974 1
Brugia malayi Carboxylesterase family protein 0.015 0.0428 0.1432
Echinococcus granulosus NADP dependent isocitrate dehydrogenase 0.0033 0.0035 0.0107
Loa Loa (eye worm) hypothetical protein 0.0212 0.0635 0.2195
Plasmodium falciparum ataxin-2 like protein, putative 0.0052 0.01 0.1081
Mycobacterium tuberculosis Probable isocitrate dehydrogenase [NADP] Icd1 (oxalosuccinate decarboxylase) (IDH) (NADP+-specific ICDH) (IDP) 0.0033 0.0035 0.0018
Schistosoma mansoni heat shock protein 0.0035 0.0043 0.0147
Trypanosoma cruzi UDP-galactopyranose mutase 0.0212 0.0635 1
Brugia malayi Corticotropin releasing factor receptor 2 precursor, putative 0.0049 0.0091 0.0264
Echinococcus multilocularis guanine nucleotide binding protein G(s) subunit 0.0049 0.009 0.0297
Echinococcus multilocularis peregrin 0.0063 0.0136 0.0455
Schistosoma mansoni hypothetical protein 0.0168 0.0488 0.1686
Echinococcus granulosus PHD finger protein rhinoceros 0.006 0.0127 0.0426
Mycobacterium tuberculosis POSSIBLE PARA-NITROBENZYL ESTERASE (FRAGMENT) 0.015 0.0428 0.0441
Onchocerca volvulus 0.015 0.0427 0.5905
Schistosoma mansoni heat shock protein 0.0035 0.0043 0.0147
Brugia malayi jmjC domain containing protein 0.0036 0.0047 0.0111
Brugia malayi heat shock protein 90 0.0035 0.0043 0.0094
Echinococcus granulosus bromodomain adjacent to zinc finger domain 0.0064 0.014 0.047
Schistosoma mansoni Protoporphyrinogen oxidase chloroplast/mitochondrial precursor 0.0212 0.0635 0.2195
Echinococcus multilocularis endoplasmin 0.0028 0.0019 0.0051
Echinococcus granulosus neuroligin 0.015 0.0428 0.1465
Leishmania major heat shock protein 83-1 0.0035 0.0043 0.0385
Brugia malayi MH2 domain containing protein 0.0246 0.075 0.2551
Schistosoma mansoni hypothetical protein 0.006 0.0127 0.044
Schistosoma mansoni gliotactin 0.015 0.0428 0.1477
Toxoplasma gondii heat shock protein 90, putative 0.0035 0.0043 0.0124
Chlamydia trachomatis protoporphyrinogen oxidase 0.0212 0.0635 0.5
Schistosoma mansoni protein phosphatase 2C 0.0036 0.0047 0.0163
Trichomonas vaginalis fructose-bisphosphate aldolase, putative 0.0313 0.0974 1
Brugia malayi jmjC domain containing protein 0.0036 0.0047 0.0111
Leishmania major heat shock protein 83-1 0.0035 0.0043 0.0385
Schistosoma mansoni family S9 non-peptidase homologue (S09 family) 0.015 0.0428 0.1477
Loa Loa (eye worm) hypothetical protein 0.0036 0.0047 0.0163
Echinococcus multilocularis Jumonji, AT rich interactive domain 1B 0.0038 0.0054 0.0173
Echinococcus multilocularis Transcription factor, JmjC domain containing protein 0.026 0.0796 0.2738
Trichomonas vaginalis heat shock protein, putative 0.0035 0.0043 0.0248
Plasmodium vivax ataxin-2 like protein, putative 0.0052 0.01 0.1081
Trypanosoma brucei heat shock protein, putative 0.0035 0.0043 0.1149
Echinococcus granulosus heat shock protein 90 0.0035 0.0043 0.0133
Loa Loa (eye worm) hypothetical protein 0.0212 0.0635 0.2195
Toxoplasma gondii heat shock protein HSP90 0.0035 0.0043 0.0124
Brugia malayi PHD-finger family protein 0.006 0.0127 0.0389
Loa Loa (eye worm) jmjC domain-containing protein 0.0138 0.0387 0.1337
Plasmodium falciparum JmjC domain-containing protein, putative 0.0036 0.0047 0.0202
Schistosoma mansoni lipoxygenase 0.0059 0.0124 0.0428
Echinococcus granulosus carboxylesterase 5A 0.0888 0.2896 1
Schistosoma mansoni Lysine-specific histone demethylase 1 0.0212 0.0635 0.2195
Loa Loa (eye worm) hypothetical protein 0.0888 0.2896 1
Echinococcus granulosus microtubule associated protein 2 0.074 0.24 0.8285
Toxoplasma gondii histone lysine demethylase JMJD6a 0.0036 0.0047 0.0202
Schistosoma mansoni phosphatidylserine receptor 0.0036 0.0047 0.0163
Echinococcus granulosus lysine specific histone demethylase 1A 0.0212 0.0635 0.2184
Schistosoma mansoni family S9 non-peptidase homologue (S09 family) 0.015 0.0428 0.1477
Echinococcus granulosus heat shock protein heat shock protein 90 alpha 0.0028 0.0019 0.0051
Leishmania major heat shock protein 83-1 0.0035 0.0043 0.0385
Plasmodium falciparum phd finger protein, putative 0.006 0.0127 0.1535
Plasmodium falciparum lysine-specific histone demethylase 1, putative 0.0212 0.0635 1
Schistosoma mansoni amine oxidase 0.0212 0.0635 0.2195
Echinococcus multilocularis NADP dependent isocitrate dehydrogenase 0.0033 0.0035 0.0107
Loa Loa (eye worm) hypothetical protein 0.0034 0.0039 0.0135
Trypanosoma cruzi PAB1-binding protein , putative 0.0052 0.01 0.1317
Echinococcus multilocularis microtubule associated protein 2 0.074 0.24 0.8285
Echinococcus multilocularis fetal alzheimer antigen, falz 0.0024 0.0007 0.001
Mycobacterium tuberculosis Carboxylesterase LipT 0.015 0.0428 0.0441
Brugia malayi SWIRM domain containing protein 0.0212 0.0635 0.2153
Leishmania major heat shock protein 83-1 0.0035 0.0043 0.0385
Brugia malayi hypothetical protein 0.015 0.0427 0.1431
Schistosoma mansoni NADP-specific isocitrate dehydrogenase 0.0033 0.0035 0.0121
Loa Loa (eye worm) jmjC domain-containing protein 0.0124 0.0342 0.1179
Leishmania major heat shock protein 83-1 0.0035 0.0043 0.0385
Echinococcus multilocularis jumonji domain containing protein 0.0084 0.0206 0.0699
Plasmodium vivax JmjC domain containing protein 0.0036 0.0047 0.0202
Onchocerca volvulus 0.0212 0.0635 1
Leishmania major heat shock protein 83-1 0.0035 0.0043 0.0385
Trypanosoma cruzi JmjC domain, hydroxylase, putative 0.0036 0.0047 0.046
Echinococcus multilocularis PHD finger protein rhinoceros 0.006 0.0127 0.0426
Loa Loa (eye worm) hypothetical protein 0.015 0.0428 0.1477
Brugia malayi Endoplasmin precursor 0.0035 0.0043 0.0094
Leishmania major heat shock protein 83-1 0.0035 0.0043 0.0385
Schistosoma mansoni amine oxidase 0.0212 0.0635 0.2195
Echinococcus multilocularis guanine nucleotide binding protein G(s) subunit 0.0049 0.009 0.0297
Echinococcus multilocularis arachidonate 5 lipoxygenase 0.0059 0.0124 0.0415
Loa Loa (eye worm) carboxylesterase 0.015 0.0428 0.1477
Echinococcus multilocularis heat shock protein 90 0.0035 0.0043 0.0133
Schistosoma mansoni jumonji domain containing protein 0.022 0.066 0.2281
Plasmodium falciparum heat shock protein 90 0.0035 0.0043 0.0124
Plasmodium vivax lysine-specific histone demethylase 1, putative 0.0212 0.0635 1
Brugia malayi hypothetical protein 0.015 0.0428 0.1432
Loa Loa (eye worm) hypothetical protein 0.015 0.0427 0.1476
Mycobacterium tuberculosis Probable flavin-containing monoamine oxidase AofH (amine oxidase) (MAO) 0.28 0.9291 1
Loa Loa (eye worm) jmjC domain-containing protein 0.0036 0.0047 0.0163
Mycobacterium ulcerans monoamine oxidase 0.0212 0.0635 0.0618
Trichomonas vaginalis spcc417.12 protein, putative 0.015 0.0428 0.4283
Echinococcus granulosus JmjC domain containing protein 4 0.0036 0.0047 0.0149
Leishmania major heat shock protein 83-1 0.0035 0.0043 0.0385
Schistosoma mansoni microtubule-associated protein tau 0.074 0.24 0.8287
Echinococcus granulosus geminin 0.0168 0.0488 0.1674
Mycobacterium ulcerans dehydrogenase 0.0212 0.0635 0.0618
Loa Loa (eye worm) hypothetical protein 0.0212 0.0635 0.2195
Loa Loa (eye worm) jmjC domain-containing protein 0.0036 0.0047 0.0163
Brugia malayi Bromodomain containing protein 0.0063 0.0136 0.0418
Brugia malayi Bromodomain containing protein 0.0041 0.0063 0.0167
Trypanosoma cruzi heat shock protein 85, putative 0.0035 0.0043 0.0385
Trypanosoma brucei heat shock protein, putative 0.0035 0.0043 0.1149
Trypanosoma brucei heat shock protein, putative 0.0035 0.0043 0.1149
Loa Loa (eye worm) PHD-finger family protein 0.006 0.0127 0.044
Trypanosoma brucei JmjC domain, hydroxylase, putative 0.0036 0.0047 0.1867
Trypanosoma cruzi heat shock protein 90, putative 0.0035 0.0043 0.0385
Trichomonas vaginalis fructose-bisphosphate aldolase, putative 0.0313 0.0974 1
Plasmodium vivax protoporphyrinogen oxidase, putative 0.0212 0.0635 1
Leishmania major UDP-galactopyranose mutase 0.0212 0.0635 1
Echinococcus multilocularis heat shock protein 90 0.0028 0.0019 0.0051
Echinococcus granulosus fetal alzheimer antigen falz 0.0024 0.0007 0.001
Echinococcus multilocularis NADP dependent isocitrate dehydrogenase 0.0033 0.0035 0.0107
Loa Loa (eye worm) hypothetical protein 0.015 0.0428 0.1477
Trichomonas vaginalis fructose-bisphosphate aldolase, putative 0.0313 0.0974 1
Trichomonas vaginalis carboxylesterase domain containing protein, putative 0.015 0.0428 0.4283
Echinococcus granulosus jumonji domain containing protein 0.0084 0.0206 0.0699
Echinococcus multilocularis JmjC domain containing protein 4 0.0036 0.0047 0.0149
Loa Loa (eye worm) acetylcholinesterase 1 0.0888 0.2896 1
Trypanosoma cruzi heat shock protein 85, putative 0.0035 0.0043 0.0385
Trypanosoma brucei heat shock protein, putative 0.0035 0.0043 0.1149
Toxoplasma gondii histone lysine-specific demethylase 0.0212 0.0635 1
Brugia malayi Carboxylesterase family protein 0.0888 0.2896 1
Echinococcus multilocularis protoporphyrinogen oxidase 0.0212 0.0635 0.2184
Onchocerca volvulus 0.015 0.0428 0.5913
Echinococcus granulosus lysine specific histone demethylase 1A 0.0212 0.0635 0.2184
Trypanosoma cruzi heat shock protein 85, putative 0.0035 0.0043 0.0385
Mycobacterium ulcerans protoporphyrinogen oxidase 0.0212 0.0635 0.0618
Leishmania major heat shock protein 83-1 0.0035 0.0043 0.0385
Leishmania major heat shock protein 83-1 0.0035 0.0043 0.0385
Echinococcus granulosus guanine nucleotide binding protein Gs subunit 0.0049 0.009 0.0297
Trypanosoma cruzi isocitrate dehydrogenase, putative 0.0033 0.0035 0.0264
Echinococcus granulosus Jumonji AT rich interactive domain 1B 0.0038 0.0054 0.0173
Leishmania major isocitrate dehydrogenase [NADP], mitochondrial precursor, putative 0.0033 0.0035 0.0264
Echinococcus granulosus peregrin 0.0063 0.0136 0.0455
Echinococcus multilocularis acetylcholinesterase 0.0888 0.2896 1
Onchocerca volvulus 0.015 0.0428 0.5913
Toxoplasma gondii PHD-finger domain-containing protein 0.006 0.0127 0.1535
Toxoplasma gondii PHD-finger domain-containing protein 0.006 0.0127 0.1535
Brugia malayi jmjC domain containing protein 0.0036 0.0047 0.0111
Brugia malayi Carboxylesterase family protein 0.015 0.0428 0.1432
Plasmodium vivax endoplasmin, putative 0.0035 0.0043 0.0124
Echinococcus multilocularis isocitrate dehydrogenase 0.0033 0.0035 0.0107
Echinococcus multilocularis neuroligin 0.015 0.0428 0.1465
Brugia malayi Carboxylesterase family protein 0.015 0.0428 0.1432
Echinococcus granulosus BC026374 protein S09 family 0.015 0.0428 0.1465
Echinococcus granulosus phd:f box containing protein 0.0036 0.0047 0.0149
Loa Loa (eye worm) hypothetical protein 0.0076 0.018 0.062
Schistosoma mansoni ubiquitously transcribed sex (X/Y) chromosome tetratricopeptide repeat protein-related 0.0036 0.0047 0.0163
Onchocerca volvulus 0.015 0.0428 0.5913
Mycobacterium leprae PROBABLE PROTOPORPHYRINOGEN OXIDASE HEMY (PROTOPORPHYRINOGEN-IX OXIDASE) (PROTOPORPHYRINOGENASE) (PPO) 0.0212 0.0635 1
Schistosoma mansoni Guanine nucleotide-binding protein G(s) subunit alpha (Adenylate cyclase-stimulating G alpha protein) 0.0049 0.009 0.0311
Brugia malayi hypothetical protein 0.0212 0.0635 0.2153
Loa Loa (eye worm) hypothetical protein 0.015 0.0428 0.1477
Schistosoma mansoni hypothetical protein 0.0168 0.0488 0.1686
Brugia malayi Isocitrate dehydrogenase 0.0033 0.0035 0.0069

Activities

Activity type Activity value Assay description Source Reference
EC50 (binding) > 100 uM Inhibition of human iNOS expressed in human HEK293 cells assessed as nitrite accumulation after 18 hrs by 2,3-diaminonapthalene assay ChEMBL. 21986586
EC50 (binding) > 100 uM Inhibition of human nNOS expressed in HEK293 cells assessed as inhibition ionomycin-induced nitric oxide production incubated for 24 hrs measured after 18 hrs of ionomycin challenge by 2,3-diaminonaphthalene assay ChEMBL. 21986586
EC50 (binding) > 100 uM Inhibition of human eNOS expressed in HEK293 cells assessed as inhibition A23187-induced nitric oxide production incubated for 24 hrs measured after 18 hrs of A23187 challenge by 2,3-diaminonaphthalene assay ChEMBL. 21986586
Inhibition (binding) < 50 % Inhibition of human iNOS expressed in human HEK293 cells assessed as nitrite accumulation at 100 uM after 18 hrs by 2,3-diaminonapthalene assay ChEMBL. 21986586
Inhibition (binding) < 50 % Inhibition of human nNOS expressed in HEK293 cells assessed as inhibition ionomycin-induced nitric oxide production at 100 uM incubated for 24 hrs measured after 18 hrs of ionomycin challenge by 2,3-diaminonaphthalene assay ChEMBL. 21986586
Inhibition (binding) < 50 % Inhibition of human eNOS expressed in HEK293 cells assessed as inhibition A23187-induced nitric oxide production at 100 uM incubated for 24 hrs measured after 18 hrs of A23187 challenge by 2,3-diaminonaphthalene assay ChEMBL. 21986586

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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