Detailed information for compound 1055620

Basic information

Technical information
  • Name: Unnamed compound
  • MW: 338.392 | Formula: C18H24F2N2O2
  • H donors: 1 H acceptors: 1 LogP: 5.09 Rotable bonds: 10
    Rule of 5 violations (Lipinski): 1
  • SMILES: CCCCCC(NCc1coc(n1)c1ccc(cc1)OC(F)F)C
  • InChi: 1S/C18H24F2N2O2/c1-3-4-5-6-13(2)21-11-15-12-23-17(22-15)14-7-9-16(10-8-14)24-18(19)20/h7-10,12-13,18,21H,3-6,11H2,1-2H3
  • InChiKey: LGYDOBLZLFMBJT-UHFFFAOYSA-N  


Substructure search Similarity search

Network

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Synonyms

No synonyms found for this compound

Targets

Known targets for this compound

No curated genes were found associated with this compound

Predicted pathogen targets for this compound

By orthology
No druggable targets predicted by orthology data
By sequence similarity to non orthologous known druggable targets
No druggable targets predicted by sequence similarity
Obtained from network model

Ranking Plot

Putative Targets List

Species Potential target Raw Global Species
Brugia malayi ATP-dependent DNA helicase, RecQ family protein 0.0021 0.0046 0.0171
Loa Loa (eye worm) glutathione reductase 0.0049 0.0203 0.072
Brugia malayi exodeoxyribonuclease III family protein 0.002 0.0041 0.0153
Toxoplasma gondii PHD-finger domain-containing protein 0.0031 0.0101 0.2961
Loa Loa (eye worm) pre-SET domain-containing protein family protein 0.0443 0.2372 0.8884
Onchocerca volvulus Protein ultraspiracle homolog 0.0032 0.0109 0.0347
Mycobacterium ulcerans hypothetical protein 0.0169 0.0863 0.3861
Wolbachia endosymbiont of Brugia malayi exonuclease III 0.002 0.0041 0.0069
Loa Loa (eye worm) hypothetical protein 0.019 0.0978 0.3637
Mycobacterium ulcerans carboxylesterase, LipT 0.0084 0.0394 0.17
Echinococcus granulosus ATP dependent DNA helicase Q1 0.0021 0.0046 0.0073
Schistosoma mansoni hypothetical protein 0.0032 0.011 0.0265
Loa Loa (eye worm) DR-78 0.0015 0.0015 0.0014
Schistosoma mansoni coup transcription factor 0.0032 0.0109 0.0262
Brugia malayi Carboxylesterase family protein 0.0084 0.0394 0.1478
Brugia malayi Nuclear hormone receptor family member nhr-14 0.0032 0.0109 0.0408
Trichomonas vaginalis DNA helicase recq, putative 0.0021 0.0046 0.0073
Loa Loa (eye worm) nuclear hormone receptor-like 1 0.0017 0.0025 0.0051
Schistosoma mansoni survival motor neuron protein 0.0051 0.0214 0.0515
Loa Loa (eye worm) twinkle helicase 0.0117 0.0578 0.2131
Brugia malayi Nuclear hormone receptor-like 1 0.0017 0.0025 0.0095
Loa Loa (eye worm) isocitrate dehydrogenase 0.0017 0.0025 0.0048
Onchocerca volvulus 0.0032 0.0109 0.0347
Echinococcus multilocularis lysine specific demethylase 5A 0.0037 0.0136 0.0292
Brugia malayi Carboxylesterase family protein 0.0497 0.2668 1
Mycobacterium tuberculosis Probable dehydrogenase 0.0112 0.0551 0.0527
Schistosoma mansoni hypothetical protein 0.0032 0.011 0.0265
Leishmania major mitochondrial DNA polymerase beta-PAK, putative 0.0152 0.0768 0.4441
Schistosoma mansoni nuclear receptor nhr-48 0.0015 0.0015 0.0037
Trichomonas vaginalis set domain proteins, putative 0.0504 0.2709 1
Echinococcus granulosus neuropeptide receptor A26 0.0493 0.2648 0.6359
Brugia malayi Nuclear hormone receptor-like 1 0.0017 0.0025 0.0095
Brugia malayi ATP-dependent DNA helicase, RecQ family protein 0.0021 0.0046 0.0171
Echinococcus granulosus nuclear receptor 2DBD gamma 0.0032 0.0109 0.0226
Onchocerca volvulus 0.0051 0.0214 0.0738
Schistosoma mansoni hypothetical protein 0.0178 0.0914 0.2199
Onchocerca volvulus Alhambra homolog 0.0031 0.0101 0.0317
Trypanosoma brucei trypanothione reductase 0.0049 0.0203 0.1066
Schistosoma mansoni hypothetical protein 0.0051 0.0214 0.0515
Echinococcus multilocularis nuclear receptor subfamily 1 group D 0.0017 0.0025 0.0024
Brugia malayi nuclear hormone receptor 0.0032 0.0109 0.0408
Toxoplasma gondii pyruvate dehydrogenase complex subunit PDH-E3II 0.0017 0.0026 0.0048
Echinococcus granulosus BC026374 protein S09 family 0.0084 0.0394 0.0915
Echinococcus multilocularis acetylcholinesterase 0.0497 0.2668 0.6408
Brugia malayi jmjC domain containing protein 0.0037 0.0136 0.0511
Brugia malayi tailless protein 0.0015 0.0015 0.0058
Echinococcus multilocularis histone lysine N methyltransferase SETMAR 0.0064 0.0282 0.0644
Brugia malayi glutathione reductase 0.0049 0.0203 0.0762
Echinococcus granulosus diuretic hormone 44 receptor GPRdih2 0.0032 0.011 0.0228
Trypanosoma brucei dihydrolipoamide dehydrogenase 0.0017 0.0026 0.0007
Loa Loa (eye worm) hypothetical protein 0.0015 0.0015 0.0014
Schistosoma mansoni hypothetical protein 0.0031 0.0101 0.0243
Loa Loa (eye worm) carboxylesterase 0.0084 0.0394 0.144
Plasmodium vivax dihydrolipoyl dehydrogenase, mitochondrial, putative 0.0017 0.0026 0.0048
Trypanosoma cruzi DNA polymerase beta thumb, putative 0.0045 0.018 0.093
Echinococcus multilocularis guanine nucleotide binding protein G(s) subunit 0.0051 0.0212 0.0474
Trypanosoma cruzi dihydrolipoyl dehydrogenase, putative 0.0017 0.0026 0.0007
Brugia malayi Calcitonin receptor-like protein seb-1 0.0102 0.0495 0.1854
Trypanosoma cruzi dihydrolipoamide dehydrogenase, putative 0.0017 0.0026 0.0007
Brugia malayi Thioredoxin reductase 0.0049 0.0203 0.0762
Echinococcus multilocularis PHD finger protein rhinoceros 0.0031 0.0101 0.0206
Echinococcus multilocularis Nuclear hormone receptor family member nhr 41 0.0032 0.0109 0.0226
Schistosoma mansoni transcription factor LCR-F1 0.0114 0.0562 0.1353
Echinococcus multilocularis ATP dependent DNA helicase Q5 0.0021 0.0046 0.0073
Loa Loa (eye worm) thioredoxin reductase 0.0049 0.0203 0.072
Brugia malayi nuclear hormone receptor family member nhr-6 0.0015 0.0015 0.0058
Echinococcus granulosus survival motor neuron protein 1 0.0251 0.1315 0.314
Echinococcus multilocularis nuclear receptor 2DBD gamma 0.0032 0.0109 0.0226
Trypanosoma cruzi mitochondrial DNA polymerase beta-PAK, putative 0.0055 0.0235 0.1254
Brugia malayi hypothetical protein 0.0017 0.0027 0.0102
Echinococcus multilocularis para nitrobenzyl esterase 0.0084 0.0394 0.0915
Trypanosoma cruzi PAB1-binding protein , putative 0.0027 0.0079 0.0327
Brugia malayi steroid hormone receptor 0.0032 0.0109 0.0408
Trypanosoma cruzi dihydrolipoamide dehydrogenase, putative 0.0017 0.0026 0.0007
Brugia malayi MH2 domain containing protein 0.0385 0.2053 0.7694
Leishmania major dihydrolipoamide dehydrogenase, putative 0.0017 0.0026 0.0007
Loa Loa (eye worm) GTP-binding regulatory protein Gs alpha-S chain 0.0051 0.0212 0.0753
Mycobacterium tuberculosis POSSIBLE PARA-NITROBENZYL ESTERASE (FRAGMENT) 0.0084 0.0394 0.037
Brugia malayi Carboxylesterase family protein 0.0084 0.0394 0.1478
Leishmania major ATP-dependent DEAD/H DNA helicase recQ, putative 0.0021 0.0046 0.0125
Echinococcus multilocularis ecdysone induced protein 78C 0.0032 0.0109 0.0226
Loa Loa (eye worm) hypothetical protein 0.0032 0.0109 0.0366
Schistosoma mansoni nuclear hormone receptor 0.0015 0.0015 0.0037
Loa Loa (eye worm) hypothetical protein 0.0084 0.0394 0.144
Schistosoma mansoni thyroid hormone receptor 0.0032 0.0109 0.0262
Schistosoma mansoni RAR-like nuclear receptor 0.0032 0.0109 0.0262
Onchocerca volvulus 0.0084 0.0394 0.1406
Brugia malayi hypothetical protein 0.0114 0.0562 0.2107
Brugia malayi Isocitrate dehydrogenase 0.0017 0.0025 0.0093
Loa Loa (eye worm) hypothetical protein 0.0251 0.1315 0.4907
Leishmania major 2-oxoglutarate dehydrogenase, e3 component, lipoamidedehydrogenase-like protein 0.0017 0.0026 0.0007
Leishmania major dihydrolipoamide dehydrogenase, putative 0.0017 0.0026 0.0007
Echinococcus granulosus microtubule associated protein 2 0.0767 0.4155 1
Schistosoma mansoni thyroid hormone receptor 0.0032 0.0109 0.0262
Mycobacterium tuberculosis Carboxylesterase LipT 0.0084 0.0394 0.037
Echinococcus multilocularis Smad4 0.0026 0.0076 0.0147
Brugia malayi nuclear receptor RXR 0.0017 0.0025 0.0095
Loa Loa (eye worm) hypothetical protein 0.0032 0.011 0.037
Mycobacterium tuberculosis Probable exodeoxyribonuclease III protein XthA (exonuclease III) (EXO III) (AP endonuclease VI) 0.002 0.0041 0.0016
Entamoeba histolytica recQ family helicase, putative 0.0021 0.0046 0.0091
Wolbachia endosymbiont of Brugia malayi replicative DNA helicase 0.0411 0.2193 1
Loa Loa (eye worm) hypothetical protein 0.007 0.0317 0.1147
Loa Loa (eye worm) hypothetical protein 0.0017 0.0025 0.0051
Plasmodium falciparum phd finger protein, putative 0.0031 0.0101 0.4267
Plasmodium falciparum dihydrolipoyl dehydrogenase, apicoplast 0.0017 0.0026 0.0068
Loa Loa (eye worm) hypothetical protein 0.0021 0.0046 0.0127
Echinococcus granulosus geminin 0.0178 0.0914 0.217
Brugia malayi hypothetical protein 0.0015 0.0015 0.0058
Schistosoma mansoni steroid hormone receptor ad4bp 0.0032 0.0109 0.0262
Loa Loa (eye worm) hypothetical protein 0.0015 0.0015 0.0014
Loa Loa (eye worm) MH2 domain-containing protein 0.0385 0.2053 0.7683
Schistosoma mansoni hypothetical protein 0.007 0.0317 0.0762
Leishmania major mitochondrial DNA polymerase beta 0.0321 0.1699 1
Brugia malayi calcium-independent alpha-latrotoxin receptor 2, putative 0.0032 0.011 0.0412
Loa Loa (eye worm) hypothetical protein 0.0017 0.0025 0.0051
Loa Loa (eye worm) hypothetical protein 0.0084 0.0394 0.144
Brugia malayi Nuclear hormone receptor family member nhr-3 0.0032 0.0109 0.0408
Echinococcus granulosus ATP dependent DNA helicase Q5 0.0021 0.0046 0.0073
Brugia malayi jmjC domain containing protein 0.0101 0.0485 0.1819
Trypanosoma brucei apurinic/apyrimidinic endonuclease, putative 0.002 0.0041 0.0097
Echinococcus granulosus peregrin 0.0031 0.0101 0.0206
Loa Loa (eye worm) PHD-finger family protein 0.0031 0.0101 0.0335
Echinococcus multilocularis histone lysine methyltransferase setb histone lysine methyltransferase eggless 0.0064 0.0282 0.0644
Echinococcus multilocularis Transcription factor, JmjC domain containing protein 0.0101 0.0485 0.1135
Entamoeba histolytica hypothetical protein 0.0114 0.0562 1
Echinococcus granulosus Transcription factor JmjC domain containing protein 0.0101 0.0485 0.1135
Echinococcus granulosus PHD finger protein rhinoceros 0.0031 0.0101 0.0206
Mycobacterium leprae PROBABLE REPLICATIVE DNA HELICASE DNAB replicative DNA helicase 0.0411 0.2193 0.7006
Brugia malayi Smad1 0.0026 0.0076 0.0286
Trichomonas vaginalis DNA helicase recq, putative 0.0021 0.0046 0.0073
Loa Loa (eye worm) hypothetical protein 0.0084 0.0394 0.144
Echinococcus granulosus histone lysine methyltransferase setb 0.0064 0.0282 0.0644
Schistosoma mansoni retinoic acid receptor RXR 0.0032 0.0109 0.0262
Echinococcus granulosus thioredoxin glutathione reductase 0.0049 0.0203 0.0454
Loa Loa (eye worm) jmjC domain-containing protein 0.0037 0.0136 0.0469
Brugia malayi hypothetical protein 0.0027 0.0079 0.0297
Echinococcus granulosus NADP dependent isocitrate dehydrogenase 0.0017 0.0025 0.0022
Echinococcus granulosus jumonji domain containing protein 0.0043 0.0167 0.0366
Loa Loa (eye worm) hypothetical protein 0.0017 0.0025 0.0051
Brugia malayi Nuclear hormone receptor E75 0.0015 0.0015 0.0058
Echinococcus multilocularis neuroligin 0.0084 0.0394 0.0915
Loa Loa (eye worm) hypothetical protein 0.0015 0.0015 0.0014
Plasmodium falciparum thioredoxin reductase 0.0049 0.0203 1
Trypanosoma cruzi trypanothione reductase, putative 0.0017 0.0026 0.0007
Echinococcus multilocularis jumonji domain containing protein 0.0043 0.0167 0.0366
Echinococcus multilocularis Basic leucine zipper (bZIP) transcription 0.0114 0.0562 0.1321
Onchocerca volvulus 0.0064 0.0282 0.0989
Trypanosoma cruzi mitochondrial DNA polymerase beta-PAK, putative 0.0045 0.018 0.093
Echinococcus multilocularis microtubule associated protein 2 0.0767 0.4155 1
Toxoplasma gondii ATP-dependent DNA helicase, RecQ family protein 0.0021 0.0046 0.0813
Trypanosoma cruzi dihydrolipoamide dehydrogenase, putative 0.0017 0.0026 0.0007
Brugia malayi Nuclear hormone receptor family member nhr-19 0.0032 0.0109 0.0408
Plasmodium vivax glutathione reductase, putative 0.0049 0.0203 0.6941
Echinococcus multilocularis neuropeptide s receptor 0.0493 0.2648 0.6359
Echinococcus granulosus dihydrolipoamide dehydrogenase 0.0017 0.0026 0.0025
Mycobacterium tuberculosis Probable reductase 0.0112 0.0551 0.0527
Onchocerca volvulus Bile acid receptor homolog 0.0032 0.0109 0.0347
Plasmodium vivax thioredoxin reductase, putative 0.0049 0.0203 0.6941
Brugia malayi MH1 domain containing protein 0.0015 0.0012 0.0044
Echinococcus granulosus acetylcholinesterase 0.0497 0.2668 0.6408
Chlamydia trachomatis replicative DNA helicase 0.0411 0.2193 1
Schistosoma mansoni TGF-beta signal transducer Smad2 0.0026 0.0076 0.0184
Loa Loa (eye worm) acetylcholinesterase 1 0.0497 0.2668 1
Trypanosoma brucei dihydrolipoyl dehydrogenase 0.0017 0.0026 0.0007
Brugia malayi MH1 domain containing protein 0.0026 0.0076 0.0286
Loa Loa (eye worm) nuclear hormone receptor family member nhr-31 0.0032 0.0109 0.0366
Echinococcus granulosus Nuclear hormone receptor family member nhr 41 0.0032 0.0109 0.0226
Echinococcus granulosus 5'partial|histone lysine N methyltransferase SETDB2 0.0061 0.0269 0.0613
Mycobacterium tuberculosis Putative ferredoxin reductase 0.0112 0.0551 0.0527
Onchocerca volvulus 0.0504 0.2709 1
Echinococcus multilocularis hepatocyte nuclear factor 4 alpha 0.0032 0.0109 0.0226
Schistosoma mansoni nuclear receptor 2DBD-gamma 0.0032 0.0109 0.0262
Mycobacterium tuberculosis Conserved hypothetical protein 0.0169 0.0863 0.084
Trichomonas vaginalis carboxylesterase domain containing protein, putative 0.0084 0.0394 0.1373
Schistosoma mansoni acetylcholinesterase 0.0084 0.0394 0.0949
Onchocerca volvulus 0.0084 0.0394 0.1406
Echinococcus multilocularis bloom syndrome protein 0.0021 0.0046 0.0073
Schistosoma mansoni nuclear hormone receptor superfamily protein-related 0.0015 0.0015 0.0037
Brugia malayi nuclear receptor NHR-67 0.0015 0.0015 0.0058
Schistosoma mansoni bromodomain-containing nuclear protein 1 brd1 0.0031 0.0101 0.0243
Schistosoma mansoni nuclear receptor 0.0015 0.0015 0.0037
Schistosoma mansoni retinoid-x-receptor (RXR) 0.0032 0.0109 0.0262
Loa Loa (eye worm) hypothetical protein 0.0015 0.0015 0.0014
Brugia malayi Iron-sulfur cluster assembly accessory protein 0.0051 0.0214 0.0802
Leishmania major trypanothione reductase 0.0049 0.0203 0.1066
Brugia malayi Carboxylesterase family protein 0.0084 0.0394 0.1478
Trichomonas vaginalis spcc417.12 protein, putative 0.0084 0.0394 0.1373
Loa Loa (eye worm) hypothetical protein 0.0015 0.0015 0.0014
Treponema pallidum replicative DNA helicase (dnaB) 0.0411 0.2193 1
Plasmodium vivax SET domain protein, putative 0.0064 0.0282 1
Plasmodium vivax ataxin-2 like protein, putative 0.0027 0.0079 0.2126
Schistosoma mansoni retinoid-x-receptor (RXR) 0.0017 0.0025 0.0061
Loa Loa (eye worm) hypothetical protein 0.0017 0.0025 0.0051
Loa Loa (eye worm) hypothetical protein 0.0015 0.0015 0.0014
Schistosoma mansoni family S9 non-peptidase homologue (S09 family) 0.0497 0.2668 0.6421
Loa Loa (eye worm) steroid hormone receptor 0.0032 0.0109 0.0366
Echinococcus granulosus nuclear receptor 2DBD gamma 0.0032 0.0109 0.0226
Echinococcus multilocularis GPCR, family 2 0.0032 0.011 0.0228
Plasmodium falciparum ATP-dependent DNA helicase Q1 0.0021 0.0046 0.1172
Toxoplasma gondii PHD-finger domain-containing protein 0.0031 0.0101 0.2961
Loa Loa (eye worm) latrophilin receptor protein 2 0.0032 0.011 0.037
Schistosoma mansoni smad1 5 8 and 0.0026 0.0076 0.0184
Echinococcus granulosus family S9 non peptidase ue S09 family 0.0084 0.0394 0.0915
Schistosoma mansoni histone-lysine n-methyltransferase suv9 0.0064 0.0282 0.0678
Loa Loa (eye worm) hypothetical protein 0.0027 0.0079 0.0254
Brugia malayi nuclear receptor subfamily 1, group D, member 1, putative 0.0015 0.0015 0.0058
Loa Loa (eye worm) jmjC domain-containing protein 0.0063 0.0281 0.1012
Brugia malayi MH1 domain containing protein 0.0015 0.0012 0.0044
Brugia malayi Nuclear hormone receptor family member nhr-25 0.0032 0.0109 0.0408
Plasmodium falciparum ataxin-2 like protein, putative 0.0027 0.0079 0.3063
Brugia malayi Ligand-binding domain of nuclear hormone receptor family protein 0.0032 0.0109 0.0408
Mycobacterium tuberculosis RecA protein (recombinase A) [contains: endonuclease PI-MTUI (MTU RecA intein)]. 0.1418 0.7739 0.7734
Echinococcus granulosus FTZ F1 nuclear receptor protein 0.0032 0.0109 0.0226
Brugia malayi Carboxylesterase family protein 0.0084 0.0394 0.1478
Brugia malayi Bloom's syndrome protein homolog 0.0021 0.0046 0.0171
Brugia malayi nuclear receptor NHR-88 0.0032 0.0109 0.0408
Loa Loa (eye worm) hypothetical protein 0.0017 0.0025 0.0051
Trypanosoma cruzi dihydrolipoamide dehydrogenase, putative 0.0017 0.0026 0.0007
Echinococcus multilocularis acetylcholinesterase 0.0497 0.2668 0.6408
Brugia malayi Nuclear hormone receptor family member nhr-25 0.0032 0.0109 0.0408
Loa Loa (eye worm) ATP-dependent DNA helicase 0.0021 0.0046 0.0127
Brugia malayi MH2 domain containing protein 0.0026 0.0076 0.0286
Loa Loa (eye worm) hypothetical protein 0.0032 0.0109 0.0366
Echinococcus multilocularis nuclear receptor 2DBD gamma 0.0032 0.0109 0.0226
Schistosoma mansoni jumonji/arid domain-containing protein 0.0037 0.0136 0.0328
Brugia malayi nuclear hormone receptor 0.0015 0.0015 0.0058
Loa Loa (eye worm) nuclear hormone receptor family member nhr-41 0.0032 0.0109 0.0366
Schistosoma mansoni hypothetical protein 0.0032 0.011 0.0265
Mycobacterium ulcerans replicative DNA helicase DnaB 0.0411 0.2193 1
Echinococcus multilocularis NADP dependent isocitrate dehydrogenase 0.0017 0.0025 0.0022
Loa Loa (eye worm) carboxylesterase 0.0084 0.0394 0.144
Trypanosoma brucei DNA polymerase beta thumb, putative 0.0045 0.018 0.093
Loa Loa (eye worm) transcription factor SMAD2 0.0385 0.2053 0.7683
Brugia malayi Pyridine nucleotide-disulphide oxidoreductase, dimerisation domain containing protein 0.0013 0.0001 0.0004
Loa Loa (eye worm) hypothetical protein 0.0084 0.0394 0.144
Loa Loa (eye worm) hypothetical protein 0.0032 0.0109 0.0366
Loa Loa (eye worm) nuclear hormone receptor 0.0015 0.0015 0.0014
Schistosoma mansoni zinc finger protein 0.0015 0.0015 0.0037
Loa Loa (eye worm) hypothetical protein 0.0015 0.0015 0.0014
Loa Loa (eye worm) MH1 domain-containing protein 0.0026 0.0076 0.0243
Toxoplasma gondii thioredoxin reductase 0.0049 0.0203 0.6941
Schistosoma mansoni histone-lysine n-methyltransferase setb1 0.0064 0.0282 0.0678
Entamoeba histolytica hypothetical protein 0.0114 0.0562 1
Brugia malayi dihydrolipoyl dehydrogenase, mitochondrial precursor, putative 0.0017 0.0026 0.0097
Trypanosoma cruzi PAB1-binding protein , putative 0.0027 0.0079 0.0327
Mycobacterium tuberculosis Probable nitrite reductase [NAD(P)H] large subunit [FAD flavoprotein] NirB 0.0112 0.0551 0.0527
Trypanosoma cruzi dihydrolipoyl dehydrogenase, putative 0.0017 0.0026 0.0007
Echinococcus multilocularis NADP dependent isocitrate dehydrogenase 0.0017 0.0025 0.0022
Trypanosoma brucei ATP-dependent DEAD/H DNA helicase recQ, putative 0.0021 0.0046 0.0125
Echinococcus multilocularis thyroid hormone receptor alpha 0.0032 0.0109 0.0226
Plasmodium vivax AP endonuclease (DNA-[apurinic or apyrimidinic site] lyase), putative 0.002 0.0041 0.063
Echinococcus granulosus nuclear receptor subfamily 1 group D 0.0017 0.0025 0.0024
Echinococcus multilocularis neuropeptide receptor A26 0.0493 0.2648 0.6359
Brugia malayi Nuclear hormone receptor family member nhr-49 0.0032 0.0109 0.0408
Schistosoma mansoni DNA helicase recq1 0.0021 0.0046 0.011
Schistosoma mansoni nuclear hormone receptor 0.0032 0.0109 0.0262
Trypanosoma brucei dihydrolipoamide dehydrogenase 0.0017 0.0026 0.0007
Schistosoma mansoni Guanine nucleotide-binding protein G(s) subunit alpha (Adenylate cyclase-stimulating G alpha protein) 0.0051 0.0212 0.051
Brugia malayi Bromodomain containing protein 0.0031 0.0101 0.0378
Plasmodium falciparum dihydrolipoyl dehydrogenase, mitochondrial 0.0017 0.0026 0.0068
Schistosoma mansoni photoreceptor-specific nuclear receptor related 0.0032 0.0109 0.0262
Loa Loa (eye worm) Smad1 0.0026 0.0076 0.0243
Onchocerca volvulus 0.0084 0.0394 0.1406
Trypanosoma brucei PAB1-binding protein , putative 0.0027 0.0079 0.0327
Echinococcus granulosus neuropeptide s receptor 0.0493 0.2648 0.6359
Brugia malayi conserved hypotetical protein 0.0015 0.0015 0.0058
Schistosoma mansoni family S9 non-peptidase homologue (S09 family) 0.0084 0.0394 0.0949
Schistosoma mansoni ecdysone-induced protein 78c (dr-78) 0.0017 0.0025 0.0061
Schistosoma mansoni histone-lysine n-methyltransferase setb1 0.0064 0.0282 0.0678
Loa Loa (eye worm) hypothetical protein 0.0032 0.0109 0.0366
Echinococcus granulosus carboxylesterase 5A 0.0497 0.2668 0.6408
Loa Loa (eye worm) nuclear receptor nhr-7B 0.0015 0.0015 0.0014
Trypanosoma cruzi mitochondrial DNA polymerase beta, putative 0.0321 0.1699 1
Echinococcus multilocularis ATP dependent DNA helicase Q1 0.0021 0.0046 0.0073
Mycobacterium tuberculosis Probable NADH dehydrogenase Ndh 0.0112 0.0551 0.0527
Plasmodium vivax dihydrolipoyl dehydrogenase, apicoplast, putative 0.0017 0.0026 0.0048
Schistosoma mansoni smad1 5 8 and 0.0026 0.0076 0.0184
Echinococcus multilocularis smad 0.0026 0.0076 0.0147
Brugia malayi alpha keto acid dehydrogenase complex, E3 component, lipoamide dehydrogenase 0.0013 0.0001 0.0004
Brugia malayi orphan nuclear receptor NR2E1 0.0015 0.0015 0.0058
Echinococcus granulosus DNA apurinic or apyrimidinic site lyase 0.002 0.0041 0.0062
Mycobacterium tuberculosis Probable soluble pyridine nucleotide transhydrogenase SthA (STH) (NAD(P)(+) transhydrogenase [B-specific]) (nicotinamide nucleot 0.0017 0.0026 0.0001
Brugia malayi hypothetical protein 0.0017 0.0025 0.0095
Schistosoma mansoni hepatocyte nuclear factor 4-alpha (hnf-4-alpha) 0.0015 0.0015 0.0037
Brugia malayi Nuclear hormone receptor E75 0.0015 0.0015 0.0058
Mycobacterium tuberculosis Dihydrolipoamide dehydrogenase LpdC (lipoamide reductase (NADH)) (lipoyl dehydrogenase) (dihydrolipoyl dehydrogenase) (diaphoras 0.0125 0.062 0.0597
Schistosoma mansoni microtubule-associated protein tau 0.0767 0.4155 1
Brugia malayi ecdysteroid receptor 0.0032 0.0109 0.0408
Echinococcus granulosus COUP TF:Svp nuclear hormone receptor 0.0032 0.0109 0.0226
Brugia malayi hypothetical protein 0.0084 0.0394 0.1478
Entamoeba histolytica hypothetical protein 0.0114 0.0562 1
Echinococcus multilocularis NADP dependent isocitrate dehydrogenase 0.0017 0.0025 0.0022
Schistosoma mansoni hypothetical protein 0.0178 0.0914 0.2199
Schistosoma mansoni dihydrolipoamide dehydrogenase 0.0017 0.0026 0.0062
Loa Loa (eye worm) hypothetical protein 0.0053 0.0222 0.079
Echinococcus granulosus ecdysone induced protein 78C 0.0032 0.0109 0.0226
Onchocerca volvulus Steroid hormone receptor family member cnr14 homolog 0.0032 0.0109 0.0347
Brugia malayi photoreceptor-specific nuclear receptor 0.0032 0.0109 0.0408
Brugia malayi hypothetical protein 0.0017 0.0025 0.0095
Brugia malayi Carboxylesterase family protein 0.0497 0.2668 1
Schistosoma mansoni smad1 5 8 and 0.0026 0.0076 0.0184
Loa Loa (eye worm) hypothetical protein 0.0102 0.0495 0.1818
Schistosoma mansoni ap endonuclease 0.002 0.0041 0.0098
Loa Loa (eye worm) hypothetical protein 0.0084 0.0394 0.144
Onchocerca volvulus 0.0084 0.0394 0.1406
Trypanosoma cruzi dihydrolipoamide dehydrogenase, putative 0.0017 0.0026 0.0007
Echinococcus granulosus GPCR family 2 0.0032 0.011 0.0228
Schistosoma mansoni histone-lysine n-methyltransferase setb1 0.0064 0.0282 0.0678
Echinococcus granulosus FTZ F1 alpha 0.0032 0.0109 0.0226
Schistosoma mansoni gliotactin 0.0084 0.0394 0.0949
Loa Loa (eye worm) RecQ helicase 0.0021 0.0046 0.0127
Echinococcus multilocularis BC026374 protein (S09 family) 0.0084 0.0394 0.0915
Brugia malayi nuclear receptor NHR-88 0.0015 0.0015 0.0058
Brugia malayi Nuclear hormone receptor family member nhr-41 0.0032 0.0109 0.0408
Loa Loa (eye worm) hypothetical protein 0.0031 0.0101 0.0335
Loa Loa (eye worm) hypothetical protein 0.0015 0.0015 0.0014
Giardia lamblia Endonuclease/Exonuclease/phosphatase 0.002 0.0041 0.1998
Schistosoma mansoni neuroligin 3 (S09 family) 0.0084 0.0394 0.0949
Brugia malayi nuclear hormone receptor family member odr-7 0.0015 0.0015 0.0058
Brugia malayi latrophilin 2 splice variant baaae 0.007 0.0317 0.1187
Loa Loa (eye worm) hypothetical protein 0.0015 0.0015 0.0014
Plasmodium falciparum ataxin-2 like protein, putative 0.0027 0.0079 0.3063
Loa Loa (eye worm) pigment dispersing factor receptor c 0.0102 0.0495 0.1818
Trypanosoma brucei mitochondrial DNA polymerase beta-PAK 0.0152 0.0768 0.4441
Loa Loa (eye worm) hypothetical protein 0.0015 0.0015 0.0014
Trypanosoma cruzi DNA polymerase beta thumb, putative 0.0045 0.018 0.093
Mycobacterium leprae DIHYDROLIPOAMIDE DEHYDROGENASE LPD (LIPOAMIDE REDUCTASE (NADH)) (LIPOYL DEHYDROGENASE) (DIHYDROLIPOYL DEHYDROGENASE) (DIAPHORASE 0.0125 0.062 0.0295
Brugia malayi Corticotropin releasing factor receptor 2 precursor, putative 0.0102 0.0495 0.1854
Echinococcus granulosus para nitrobenzyl esterase 0.0084 0.0394 0.0915
Loa Loa (eye worm) exodeoxyribonuclease III family protein 0.002 0.0041 0.0109
Plasmodium falciparum AP endonuclease (DNA-[apurinic or apyrimidinic site] lyase), putative 0.002 0.0041 0.0907
Schistosoma mansoni hypothetical protein 0.0114 0.0562 0.1353
Brugia malayi Nuclear hormone receptor-like 1 0.0032 0.0109 0.0408
Onchocerca volvulus Rap guanine nucleotide exchange factor 1 homolog 0.019 0.0978 0.3574
Echinococcus multilocularis FTZ F1 nuclear receptor protein 0.0032 0.0109 0.0226
Echinococcus multilocularis dihydrolipoamide dehydrogenase 0.0017 0.0026 0.0025
Brugia malayi Nuclear hormone receptor family member nhr-19 0.0032 0.0109 0.0408
Schistosoma mansoni hypothetical protein 0.0032 0.011 0.0265
Schistosoma mansoni NADP-specific isocitrate dehydrogenase 0.0017 0.0025 0.0059
Giardia lamblia PHD finger protein 15 0.0031 0.0101 1
Brugia malayi N-terminal motif family protein 0.019 0.0978 0.3666
Loa Loa (eye worm) hypothetical protein 0.0497 0.2668 1
Echinococcus granulosus acetylcholinesterase 0.0497 0.2668 0.6408
Trichomonas vaginalis DNA helicase recq1, putative 0.0021 0.0046 0.0073
Echinococcus granulosus neuroligin 0.0084 0.0394 0.0915
Trypanosoma cruzi ATP-dependent DEAD/H DNA helicase recQ, putative 0.0021 0.0046 0.0125
Schistosoma mansoni Guanine nucleotide-binding protein G(s) subunit alpha (Adenylate cyclase-stimulating G alpha protein) 0.0051 0.0212 0.051
Brugia malayi GTP-binding regulatory protein Gs alpha-S chain, putative 0.0051 0.0212 0.0794
Echinococcus granulosus cadherin EGF LAG seven pass G type receptor 0.0032 0.011 0.0228
Brugia malayi nuclear receptor RXR 0.0015 0.0015 0.0058
Echinococcus granulosus TGF beta signal transducer SmadC 0.0026 0.0076 0.0147
Leishmania major acetoin dehydrogenase e3 component-like protein 0.0017 0.0026 0.0007
Loa Loa (eye worm) nuclear receptor NHR-67 0.0015 0.0015 0.0014
Echinococcus granulosus mothers against decapentaplegic 5 0.0026 0.0076 0.0147
Echinococcus granulosus lysine specific demethylase 5A 0.0037 0.0136 0.0292
Toxoplasma gondii LsmAD domain-containing protein 0.0027 0.0079 0.2126
Schistosoma mansoni Tr4/Tr2 (homologue) 0.0032 0.0109 0.0262
Plasmodium vivax hypothetical protein, conserved 0.0031 0.0101 0.2961
Toxoplasma gondii hypothetical protein 0.0052 0.0217 0.7473
Loa Loa (eye worm) hypothetical protein 0.0032 0.0109 0.0366
Brugia malayi hypothetical protein 0.0251 0.1315 0.493
Trypanosoma cruzi trypanothione reductase, putative 0.0049 0.0203 0.1066
Echinococcus multilocularis carboxylesterase 5A 0.0497 0.2668 0.6408
Mycobacterium leprae Conserved hypothetical protein 0.0538 0.2894 1
Loa Loa (eye worm) carboxylesterase 0.0497 0.2668 1
Echinococcus granulosus hepatocyte nuclear factor 4 alpha 0.0032 0.0109 0.0226
Echinococcus multilocularis DNA (apurinic or apyrimidinic site) lyase 0.002 0.0041 0.0062
Echinococcus multilocularis mothers against decapentaplegic 5 0.0026 0.0076 0.0147
Schistosoma mansoni nuclear hormone receptor 0.0015 0.0015 0.0037
Loa Loa (eye worm) hypothetical protein 0.0032 0.0109 0.0366
Echinococcus multilocularis isocitrate dehydrogenase 2 (NADP+) 0.0017 0.0025 0.0022
Mycobacterium tuberculosis Probable oxidoreductase 0.0125 0.062 0.0597
Echinococcus multilocularis FTZ F1 alpha 0.0032 0.0109 0.0226
Loa Loa (eye worm) hypothetical protein 0.0015 0.0015 0.0014
Echinococcus granulosus guanine nucleotide binding protein Gs subunit 0.0051 0.0212 0.0474
Loa Loa (eye worm) hypothetical protein 0.0064 0.0282 0.1017
Plasmodium falciparum glutathione reductase 0.0017 0.0026 0.0068
Echinococcus multilocularis survival motor neuron protein 1 0.0251 0.1315 0.314
Brugia malayi PHD-finger family protein 0.0031 0.0101 0.0378
Mycobacterium tuberculosis NADPH-dependent mycothiol reductase Mtr 0.0049 0.0203 0.0179
Echinococcus multilocularis peregrin 0.0031 0.0101 0.0206
Loa Loa (eye worm) hypothetical protein 0.0497 0.2668 1
Mycobacterium tuberculosis NAD(P)H quinone reductase LpdA 0.0125 0.062 0.0597
Trichomonas vaginalis ap endonuclease, putative 0.002 0.0041 0.0056
Trypanosoma brucei dihydrolipoamide dehydrogenase, point mutation 0.0017 0.0026 0.0007
Loa Loa (eye worm) hypothetical protein 0.0084 0.0394 0.144
Schistosoma mansoni smad 0.0026 0.0076 0.0184
Brugia malayi Nuclear hormone receptor family member nhr-31 0.0032 0.0109 0.0408
Echinococcus granulosus guanine nucleotide binding protein Gs subunit 0.0051 0.0212 0.0474
Echinococcus granulosus Basic leucine zipper bZIP transcription 0.0114 0.0562 0.1321
Schistosoma mansoni nuclear receptor 0.0015 0.0015 0.0037
Brugia malayi Pre-SET motif family protein 0.0443 0.2372 0.8889
Loa Loa (eye worm) hypothetical protein 0.0032 0.0109 0.0366
Toxoplasma gondii ATP-dependent DNA helicase, RecQ family protein 0.0021 0.0046 0.0813
Brugia malayi Nuclear hormone receptor family member nhr-1 0.0032 0.0109 0.0408
Schistosoma mansoni family S9 non-peptidase homologue (S09 family) 0.0084 0.0394 0.0949
Trypanosoma cruzi apurinic/apyrimidinic endonuclease, putative 0.002 0.0041 0.0097
Schistosoma mansoni Guanine nucleotide-binding protein G(s) subunit alpha (Adenylate cyclase-stimulating G alpha protein) 0.0051 0.0212 0.051
Leishmania major apurinic/apyrimidinic endonuclease-redox protein 0.002 0.0041 0.0097
Loa Loa (eye worm) MH2 domain-containing protein 0.0026 0.0076 0.0243
Plasmodium falciparum thioredoxin reductase 0.0017 0.0026 0.0068
Mycobacterium tuberculosis POSSIBLE PARA-NITROBENZYL ESTERASE (FRAGMENT) 0.0084 0.0394 0.037
Brugia malayi Ligand-binding domain of nuclear hormone receptor family protein 0.0032 0.0109 0.0408
Toxoplasma gondii exonuclease III APE 0.002 0.0041 0.063
Trypanosoma cruzi mitochondrial DNA polymerase beta-PAK, putative 0.0152 0.0768 0.4441
Loa Loa (eye worm) nuclear hormone receptor family member nhr-1 0.0032 0.0109 0.0366
Schistosoma mansoni FTZ-F1 nuclear receptor-like protein 0.0032 0.0109 0.0262
Echinococcus granulosus bloom syndrome protein 0.0021 0.0046 0.0073
Echinococcus multilocularis thioredoxin glutathione reductase 0.0049 0.0203 0.0454
Loa Loa (eye worm) hypothetical protein 0.0015 0.0015 0.0014
Schistosoma mansoni nuclear hormone receptor nor-1/nor-2 0.0032 0.0109 0.0262
Echinococcus multilocularis COUP TF:Svp nuclear hormone receptor 0.0032 0.0109 0.0226
Schistosoma mansoni ap endonuclease 0.002 0.0041 0.0098
Loa Loa (eye worm) nuclear hormone receptor family member nhr-14 0.0032 0.0109 0.0366
Loa Loa (eye worm) nuclear hormone receptor family member nhr-49 0.0032 0.0109 0.0366
Schistosoma mansoni Replicative DNA helicase 0.0411 0.2193 0.5277
Echinococcus multilocularis TGF beta signal transducer SmadC 0.0026 0.0076 0.0147
Brugia malayi Nuclear hormone receptor family member nhr-40 0.0032 0.0109 0.0408
Trypanosoma brucei mitochondrial DNA polymerase beta 0.0321 0.1699 1
Schistosoma mansoni jumonji/arid domain-containing protein 0.0037 0.0136 0.0328
Plasmodium falciparum glutathione reductase 0.0049 0.0203 1
Loa Loa (eye worm) nuclear hormone receptor family member nhr-40 0.0032 0.0109 0.0366
Echinococcus granulosus smad 0.0026 0.0076 0.0147
Echinococcus multilocularis cadherin EGF LAG seven pass G type receptor 0.0032 0.011 0.0228
Echinococcus multilocularis geminin 0.0178 0.0914 0.217
Schistosoma mansoni family S9 non-peptidase homologue (S09 family) 0.0084 0.0394 0.0949
Toxoplasma gondii NADPH-glutathione reductase 0.0017 0.0026 0.0048
Giardia lamblia Sgs1 DNA helicase, putative 0.0021 0.0046 0.2629
Brugia malayi isocitrate dehydrogenase 0.0017 0.0025 0.0093
Schistosoma mansoni BC026374 protein (S09 family) 0.0084 0.0394 0.0949
Schistosoma mansoni jumonji domain containing protein 0.008 0.0372 0.0894
Echinococcus granulosus Smad4 0.0026 0.0076 0.0147
Trypanosoma cruzi apurinic/apyrimidinic endonuclease 0.002 0.0041 0.0097
Treponema pallidum exodeoxyribonuclease (exoA) 0.002 0.0041 0.0069
Echinococcus multilocularis diuretic hormone 44 receptor GPRdih2 0.0032 0.011 0.0228
Trypanosoma cruzi mitochondrial DNA polymerase beta, putative 0.0321 0.1699 1
Plasmodium falciparum ADP-dependent DNA helicase RecQ 0.0021 0.0046 0.1172
Onchocerca volvulus 0.0084 0.0394 0.1406
Schistosoma mansoni Smad4 0.0026 0.0076 0.0184
Mycobacterium tuberculosis Probable membrane NADH dehydrogenase NdhA 0.0112 0.0551 0.0527
Loa Loa (eye worm) hypothetical protein 0.0032 0.0109 0.0366
Loa Loa (eye worm) hypothetical protein 0.0084 0.0394 0.144
Leishmania major hypothetical protein, conserved 0.0027 0.0079 0.0327
Brugia malayi MH1 domain containing protein 0.0026 0.0076 0.0286
Brugia malayi ecdysone receptor 0.0015 0.0015 0.0058
Mycobacterium ulcerans exodeoxyribonuclease III protein XthA 0.002 0.0041 0.0069
Schistosoma mansoni DNA helicase recq5 0.0021 0.0046 0.011
Brugia malayi MH2 domain containing protein 0.0026 0.0076 0.0286
Trypanosoma cruzi dihydrolipoamide dehydrogenase, putative 0.0017 0.0026 0.0007
Brugia malayi Steroid receptor seven-up type 2 0.0032 0.0109 0.0408
Trichomonas vaginalis ap endonuclease, putative 0.002 0.0041 0.0056
Loa Loa (eye worm) nuclear Hormone Receptor family member 0.0032 0.0109 0.0366
Echinococcus multilocularis guanine nucleotide binding protein G(s) subunit 0.0051 0.0212 0.0474
Echinococcus multilocularis family S9 non peptidase ue (S09 family) 0.0084 0.0394 0.0915
Echinococcus multilocularis isocitrate dehydrogenase 0.0017 0.0025 0.0022
Loa Loa (eye worm) hypothetical protein 0.0015 0.0015 0.0014
Brugia malayi Latrophilin receptor protein 2 0.0032 0.011 0.0412
Toxoplasma gondii histone lysine methyltransferase SET/SUV39 0.0064 0.0282 1
Brugia malayi Pre-SET motif family protein 0.0064 0.0282 0.1056
Brugia malayi hypothetical protein 0.0015 0.0015 0.0058
Echinococcus granulosus retinoic acid receptor rxr beta a 0.0032 0.0109 0.0226
Entamoeba histolytica hypothetical protein 0.0114 0.0562 1

Activities

Activity type Activity value Assay description Source Reference
IC50 (functional) = 2.15 ug/ml DNDI: Inhibition of Human African Trypanosomiasis, SBRI 427, in vitro ChEMBL. No reference
IC50 = 3.82 ug/ml DNDI: Cytotoxicity against L929 mouse fibroblasts, 72 hour. ChEMBL. No reference

Phenotypes

Whole-cell/tissue/organism interactions

Species name Source Reference Is orphan
Trypanosoma brucei ChEMBL23
Mus musculus ChEMBL23
Trypanosoma brucei gambiense

Many chemical entities in TDR Targets come from high-throughput screenings with whole cells or tissue samples, and not all assayed compounds have been tested against a single a single target protein, probably because they get ruled out during screening process. Even if these compounds may have not been of interest in the original screening, they may come as interesting leads for other screening assays. Furthermore, we may be able to propose drug-target associations using chemical similarities and network patterns.

Annotated phenotypes:

We have no manually annotated phenotypes for this drug. What does this mean? / Care to help?
In TDR Targets, information about phenotypes that are caused by drugs, or by genetic manipulation of cells (e.g. gene knockouts or knockdowns) is manually curated from the literature. These descriptions help to describe the potential of the target for drug development. If no information is available for this gene or if the information is incomplete, this may mean that i) the papers containing this information either appeared after the curation effort for this organism was carried out or they were inadvertently missed by curators; or that ii) the curation effort for this organism has not yet started.
 
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External resources for this compound

Bibliographic References

No literature references available for this target.

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