Detailed information for compound 1369766

Basic information

Technical information
  • TDR Targets ID: 1369766
  • Name: methyl 4-[5-[(oxolan-2-ylmethyl-(pyridin-4-yl methyl)amino)methyl]-1,2,4-oxadiazol-3-yl]ben zoate
  • MW: 408.45 | Formula: C22H24N4O4
  • H donors: 0 H acceptors: 4 LogP: 2.36 Rotable bonds: 9
    Rule of 5 violations (Lipinski): 1
  • SMILES: COC(=O)c1ccc(cc1)c1noc(n1)CN(Cc1ccncc1)CC1CCCO1
  • InChi: 1S/C22H24N4O4/c1-28-22(27)18-6-4-17(5-7-18)21-24-20(30-25-21)15-26(14-19-3-2-12-29-19)13-16-8-10-23-11-9-16/h4-11,19H,2-3,12-15H2,1H3
  • InChiKey: WMHGTAAZZJEGFV-UHFFFAOYSA-N  


Substructure search Similarity search

Network

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Synonyms

  • methyl 4-[5-[(4-pyridylmethyl-(tetrahydrofuran-2-ylmethyl)amino)methyl]-1,2,4-oxadiazol-3-yl]benzoate
  • 4-[5-[(4-pyridylmethyl-(2-tetrahydrofuranylmethyl)amino)methyl]-1,2,4-oxadiazol-3-yl]benzoic acid methyl ester
  • 4-[5-[(4-pyridylmethyl-(tetrahydrofurfuryl)amino)methyl]-1,2,4-oxadiazol-3-yl]benzoic acid methyl ester
  • MLS000734610
  • SMR000317839
  • methyl 4-(5-{[(pyridin-4-ylmethyl)(tetrahydrofuran-2-ylmethyl)amino]methyl}-1,2,4-oxadiazol-3-yl)benzoate

Targets

Known targets for this compound

Species Target name Source Bibliographic reference
Homo sapiens SMAD family member 2 Starlite/ChEMBL No references
Homo sapiens APEX nuclease (multifunctional DNA repair enzyme) 1 Starlite/ChEMBL No references
Homo sapiens lamin A/C Starlite/ChEMBL No references

Predicted pathogen targets for this compound

By orthology
Species Potential target Known druggable target/s Ortholog Group
Loa Loa (eye worm) MH2 domain-containing protein Get druggable targets OG5_131716 All targets in OG5_131716
Schistosoma mansoni intermediate filament proteins Get druggable targets OG5_128723 All targets in OG5_128723
Plasmodium knowlesi AP endonuclease (DNA-[apurinic or apyrimidinic site] lyase), putative Get druggable targets OG5_126768 All targets in OG5_126768
Loa Loa (eye worm) hypothetical protein Get druggable targets OG5_128723 All targets in OG5_128723
Echinococcus multilocularis cytoplasmic intermediate filament protein Get druggable targets OG5_128723 All targets in OG5_128723
Trypanosoma cruzi apurinic/apyrimidinic endonuclease Get druggable targets OG5_126768 All targets in OG5_126768
Loa Loa (eye worm) exodeoxyribonuclease III family protein Get druggable targets OG5_126768 All targets in OG5_126768
Loa Loa (eye worm) transcription factor SMAD2 Get druggable targets OG5_131716 All targets in OG5_131716
Theileria parva hypothetical protein Get druggable targets OG5_126768 All targets in OG5_126768
Echinococcus granulosus intermediate filament protein Get druggable targets OG5_128723 All targets in OG5_128723
Candida albicans similar to S. cerevisiae APN2 (YBL019W) DNA repair apurinic/apyrimidinic endonuclease Get druggable targets OG5_126768 All targets in OG5_126768
Plasmodium berghei AP endonuclease (DNA-[apurinic or apyrimidinic site] lyase), putative Get druggable targets OG5_126768 All targets in OG5_126768
Schistosoma mansoni ap endonuclease Get druggable targets OG5_126768 All targets in OG5_126768
Trichomonas vaginalis ap endonuclease, putative Get druggable targets OG5_126768 All targets in OG5_126768
Toxoplasma gondii exonuclease III APE Get druggable targets OG5_126768 All targets in OG5_126768
Trypanosoma brucei gambiense apurinic/apyrimidinic endonuclease, putative Get druggable targets OG5_126768 All targets in OG5_126768
Echinococcus granulosus cytoplasmic intermediate filament protein Get druggable targets OG5_128723 All targets in OG5_128723
Entamoeba histolytica exodeoxyribonuclease III, putative Get druggable targets OG5_126768 All targets in OG5_126768
Schistosoma japonicum DNA-(apurinic or apyrimidinic site) lyase 2, putative Get druggable targets OG5_126768 All targets in OG5_126768
Leishmania infantum apurinic/apyrimidinic endonuclease-redox protein Get druggable targets OG5_126768 All targets in OG5_126768
Echinococcus granulosus lamin dm0 Get druggable targets OG5_128723 All targets in OG5_128723
Schistosoma japonicum Intermediate filament protein ifa-1, putative Get druggable targets OG5_128723 All targets in OG5_128723
Trypanosoma cruzi apurinic/apyrimidinic endonuclease, putative Get druggable targets OG5_126768 All targets in OG5_126768
Trypanosoma brucei apurinic/apyrimidinic endonuclease, putative Get druggable targets OG5_126768 All targets in OG5_126768
Plasmodium falciparum AP endonuclease (DNA-[apurinic or apyrimidinic site] lyase), putative Get druggable targets OG5_126768 All targets in OG5_126768
Leishmania donovani apurinic/apyrimidinic endonuclease-redox protein Get druggable targets OG5_126768 All targets in OG5_126768
Leishmania braziliensis apurinic/apyrimidinic endonuclease-redox protein Get druggable targets OG5_126768 All targets in OG5_126768
Loa Loa (eye worm) hypothetical protein Get druggable targets OG5_128723 All targets in OG5_128723
Schistosoma japonicum DNA-(apurinic or apyrimidinic site) lyase 2, putative Get druggable targets OG5_126768 All targets in OG5_126768
Trypanosoma congolense apurinic/apyrimidinic endonuclease, putative Get druggable targets OG5_126768 All targets in OG5_126768
Onchocerca volvulus Get druggable targets OG5_128723 All targets in OG5_128723
Neospora caninum hypothetical protein Get druggable targets OG5_126768 All targets in OG5_126768
Brugia malayi MH2 domain containing protein Get druggable targets OG5_131716 All targets in OG5_131716
Schistosoma mansoni lamin Get druggable targets OG5_128723 All targets in OG5_128723
Schistosoma japonicum ko:K10771 AP endonuclease 1, putative Get druggable targets OG5_126768 All targets in OG5_126768
Onchocerca volvulus Get druggable targets OG5_128723 All targets in OG5_128723
Giardia lamblia Endonuclease/Exonuclease/phosphatase Get druggable targets OG5_126768 All targets in OG5_126768
Echinococcus multilocularis musashi Get druggable targets OG5_128723 All targets in OG5_128723
Echinococcus granulosus DNA apurinic or apyrimidinic site lyase Get druggable targets OG5_126768 All targets in OG5_126768
Loa Loa (eye worm) intermediate filament protein Get druggable targets OG5_128723 All targets in OG5_128723
Schistosoma japonicum ko:K07611 lamin, putative Get druggable targets OG5_128723 All targets in OG5_128723
Cryptosporidium hominis dna-(apurinic or apyrimidinic site) lyase Get druggable targets OG5_126768 All targets in OG5_126768
Leishmania mexicana apurinic/apyrimidinic endonuclease-redox protein,AP-endonuclease Get druggable targets OG5_126768 All targets in OG5_126768
Echinococcus multilocularis lamin Get druggable targets OG5_128723 All targets in OG5_128723
Schistosoma japonicum ko:K10772 AP endonuclease 2, putative Get druggable targets OG5_126768 All targets in OG5_126768
Schistosoma japonicum expressed protein Get druggable targets OG5_128723 All targets in OG5_128723
Schistosoma japonicum Lamin-C, putative Get druggable targets OG5_128723 All targets in OG5_128723
Loa Loa (eye worm) intermediate filament tail domain-containing protein Get druggable targets OG5_128723 All targets in OG5_128723
Treponema pallidum exodeoxyribonuclease (exoA) Get druggable targets OG5_126768 All targets in OG5_126768
Brugia malayi Intermediate filament tail domain containing protein Get druggable targets OG5_128723 All targets in OG5_128723
Brugia malayi exodeoxyribonuclease III family protein Get druggable targets OG5_126768 All targets in OG5_126768
Schistosoma mansoni ap endonuclease Get druggable targets OG5_126768 All targets in OG5_126768
Cryptosporidium parvum conserved hypothetical protein Get druggable targets OG5_126768 All targets in OG5_126768
Loa Loa (eye worm) hypothetical protein Get druggable targets OG5_128723 All targets in OG5_128723
Echinococcus multilocularis DNA (apurinic or apyrimidinic site) lyase Get druggable targets OG5_126768 All targets in OG5_126768
Echinococcus multilocularis lamin dm0 Get druggable targets OG5_128723 All targets in OG5_128723
Echinococcus granulosus lamin Get druggable targets OG5_128723 All targets in OG5_128723
Schistosoma japonicum expressed protein Get druggable targets OG5_128723 All targets in OG5_128723
Mycobacterium ulcerans exodeoxyribonuclease III protein XthA Get druggable targets OG5_126768 All targets in OG5_126768
Trichomonas vaginalis ap endonuclease, putative Get druggable targets OG5_126768 All targets in OG5_126768
Mycobacterium tuberculosis Probable exodeoxyribonuclease III protein XthA (exonuclease III) (EXO III) (AP endonuclease VI) Get druggable targets OG5_126768 All targets in OG5_126768
Candida albicans similar to S. cerevisiae APN2 (YBL019W) DNA repair apurinic/apyrimidinic endonuclease Get druggable targets OG5_126768 All targets in OG5_126768
Plasmodium yoelii putative AP endonuclease-related Get druggable targets OG5_126768 All targets in OG5_126768
Plasmodium vivax AP endonuclease (DNA-[apurinic or apyrimidinic site] lyase), putative Get druggable targets OG5_126768 All targets in OG5_126768
Loa Loa (eye worm) hypothetical protein Get druggable targets OG5_128723 All targets in OG5_128723
Leishmania major apurinic/apyrimidinic endonuclease-redox protein Get druggable targets OG5_126768 All targets in OG5_126768
Brugia malayi intermediate filament protein Get druggable targets OG5_128723 All targets in OG5_128723
Loa Loa (eye worm) hypothetical protein Get druggable targets OG5_128723 All targets in OG5_128723
Wolbachia endosymbiont of Brugia malayi exonuclease III Get druggable targets OG5_126768 All targets in OG5_126768
Schistosoma mansoni lamin Get druggable targets OG5_128723 All targets in OG5_128723
By sequence similarity to non orthologous known druggable targets
Species Potential target Known druggable target Length Alignment span Identity
Brugia malayi MH2 domain containing protein SMAD family member 2 467 aa 405 aa 31.6 %
Obtained from network model

Ranking Plot

Putative Targets List

Species Potential target Raw Global Species
Echinococcus granulosus histone acetyltransferase KAT2B 0.0133 0.168 0.4293
Schistosoma mansoni importin beta-1 0.0028 0.0304 0.0408
Echinococcus multilocularis ATP dependent DNA helicase Q5 0.001 0.0059 0.0059
Echinococcus granulosus cadherin EGF LAG seven pass G type receptor 0.0031 0.0338 0.0863
Trichomonas vaginalis fructose-bisphosphate aldolase, putative 0.0292 0.3761 1
Schistosoma mansoni rab6-interacting 0.0023 0.0234 0.0314
Echinococcus multilocularis guanine nucleotide binding protein G(s) subunit 0.0049 0.0579 0.0579
Schistosoma mansoni lipoxygenase 0.0138 0.1745 0.2345
Brugia malayi nuclear hormone receptor 0.001 0.0062 0.0162
Brugia malayi GTP-binding regulatory protein Gs alpha-S chain, putative 0.0049 0.0579 0.1511
Brugia malayi Corticotropin releasing factor receptor 2 precursor, putative 0.0264 0.3391 0.8848
Brugia malayi hypothetical protein 0.0023 0.0234 0.061
Brugia malayi acetyltransferase, GNAT family protein 0.0137 0.173 0.4515
Trypanosoma cruzi hypothetical protein, conserved 0.0032 0.0349 1
Brugia malayi latrophilin 2 splice variant baaae 0.0067 0.081 0.2113
Schistosoma mansoni nuclear receptor 2DBD-gamma 0.001 0.0062 0.0083
Brugia malayi cytoplasmic intermediate filament protein 0.0017 0.016 0.0416
Trypanosoma cruzi hypothetical protein, conserved 0.0032 0.0349 1
Echinococcus granulosus smad 0.001 0.006 0.0152
Brugia malayi Nuclear hormone receptor family member nhr-40 0.001 0.0062 0.0162
Echinococcus multilocularis GTP binding nuclear protein Ran 0.0021 0.0205 0.0205
Loa Loa (eye worm) DEAH box polypeptide 35 0.0297 0.3833 0.9796
Echinococcus granulosus guanine nucleotide binding protein Gs subunit 0.0049 0.0579 0.1481
Schistosoma mansoni Guanine nucleotide-binding protein G(s) subunit alpha (Adenylate cyclase-stimulating G alpha protein) 0.0049 0.0579 0.0779
Schistosoma mansoni hypothetical protein 0.0067 0.081 0.1088
Loa Loa (eye worm) beta-LACTamase domain containing family member 0.0032 0.0349 0.0892
Loa Loa (eye worm) hypothetical protein 0.0015 0.0129 0.033
Plasmodium vivax GTP-binding nuclear protein RAN/TC4, putative 0.0021 0.0205 0.4447
Loa Loa (eye worm) transcription factor SMAD2 0.0144 0.1822 0.4656
Echinococcus multilocularis nuclear receptor 2DBD gamma 0.001 0.0062 0.0062
Loa Loa (eye worm) hypothetical protein 0.0032 0.0349 0.0892
Toxoplasma gondii ATP-dependent DNA helicase, RecQ family protein 0.001 0.0059 0.0349
Trichomonas vaginalis DNA helicase recq, putative 0.0024 0.0241 0.0638
Loa Loa (eye worm) hypothetical protein 0.0162 0.2053 0.5248
Brugia malayi ATP-dependent DNA helicase, RecQ family protein 0.001 0.0059 0.0154
Plasmodium falciparum GTP-binding nuclear protein RAN/TC4 0.0021 0.0205 0.492
Loa Loa (eye worm) hypothetical protein 0.0032 0.0349 0.0892
Loa Loa (eye worm) hypothetical protein 0.001 0.0062 0.0158
Plasmodium falciparum LCCL domain-containing protein 0.0023 0.0234 0.5612
Schistosoma mansoni ran 0.0021 0.0205 0.0276
Schistosoma mansoni coup transcription factor 0.001 0.0062 0.0083
Mycobacterium leprae Probable fructose bisphosphate aldolase Fba 0.0143 0.1802 1
Loa Loa (eye worm) nucleolar RNA-associated protein alpha 0.0304 0.3913 1
Schistosoma mansoni gcn5proteinral control of amino-acid synthesis 5-like 2 gcnl2 0.0137 0.173 0.2326
Schistosoma mansoni lamin 0.0033 0.0358 0.0481
Echinococcus granulosus snurportin 1 0.0304 0.3913 1
Echinococcus multilocularis diuretic hormone 44 receptor GPRdih2 0.0197 0.2512 0.2512
Loa Loa (eye worm) MH2 domain-containing protein 0.0144 0.1822 0.4656
Echinococcus multilocularis gcn5proteinral control of amino acid synthesis 0.0137 0.173 0.173
Echinococcus granulosus retinoic acid receptor rxr beta a 0.001 0.0062 0.0158
Schistosoma mansoni hypothetical protein 0.0031 0.0338 0.0454
Brugia malayi MH1 domain containing protein 0.0005 0.0002 0.0005
Brugia malayi ecdysteroid receptor 0.0162 0.2053 0.5357
Schistosoma mansoni ap endonuclease 0.0023 0.0229 0.0307
Loa Loa (eye worm) hypothetical protein 0.001 0.0062 0.0158
Brugia malayi Nuclear hormone receptor family member nhr-25 0.001 0.0062 0.0162
Loa Loa (eye worm) hypothetical protein 0.0297 0.3833 0.9796
Trypanosoma brucei ATP-dependent DEAD/H DNA helicase recQ, putative 0.0013 0.0097 0.2743
Schistosoma mansoni hypothetical protein 0.0304 0.3913 0.5259
Echinococcus multilocularis ATP dependent DNA helicase Q1 0.001 0.0059 0.0059
Echinococcus multilocularis guanine nucleotide binding protein G(s) subunit 0.0049 0.0579 0.0579
Echinococcus multilocularis snurportin 1 0.0304 0.3913 0.3913
Trichomonas vaginalis fructose-bisphosphate aldolase, putative 0.0292 0.3761 1
Trypanosoma brucei importin beta-1 subunit, putative 0.0028 0.0304 0.87
Brugia malayi ATP-dependent DNA helicase, RecQ family protein 0.001 0.0059 0.0154
Schistosoma mansoni smad 0.001 0.006 0.008
Leishmania major hypothetical protein, conserved 0.0032 0.0349 1
Echinococcus multilocularis cytoplasmic intermediate filament protein 0.0016 0.0137 0.0137
Trichomonas vaginalis fructose-bisphosphate aldolase, putative 0.0292 0.3761 1
Toxoplasma gondii ATP-dependent DNA helicase, RecQ family protein 0.0016 0.0138 0.083
Schistosoma mansoni TGF-beta signal transducer Smad2 0.001 0.006 0.008
Loa Loa (eye worm) hypothetical protein 0.0032 0.0349 0.0892
Loa Loa (eye worm) hypothetical protein 0.0016 0.0137 0.035
Brugia malayi Doublecortin family protein 0.0023 0.0234 0.061
Echinococcus multilocularis DNA (apurinic or apyrimidinic site) lyase 0.0023 0.0229 0.0229
Echinococcus multilocularis Nuclear hormone receptor family member nhr 41 0.001 0.0062 0.0062
Echinococcus granulosus FTZ F1 nuclear receptor protein 0.001 0.0062 0.0158
Trypanosoma cruzi GTP-binding nuclear protein rtb2, putative 0.0021 0.0205 0.4305
Loa Loa (eye worm) nuclear hormone receptor family member nhr-1 0.001 0.0062 0.0158
Brugia malayi Bloom's syndrome protein homolog 0.0024 0.0241 0.0629
Trichomonas vaginalis penicillin-binding protein, putative 0.0032 0.0349 0.0925
Mycobacterium tuberculosis Possible conserved lipoprotein LpqK 0.0032 0.0349 0.0507
Schistosoma mansoni Tr4/Tr2 (homologue) 0.001 0.0062 0.0083
Brugia malayi Nuclear hormone receptor-like 1 0.001 0.0062 0.0162
Echinococcus multilocularis lipoxygenase domain containing protein 0.0023 0.0234 0.0234
Brugia malayi MH2 domain containing protein 0.001 0.006 0.0155
Loa Loa (eye worm) hypothetical protein 0.001 0.0059 0.015
Echinococcus multilocularis ecdysone induced protein 78C 0.001 0.0062 0.0062
Brugia malayi MH2 domain containing protein 0.001 0.006 0.0155
Echinococcus multilocularis mothers against decapentaplegic 5 0.001 0.006 0.006
Onchocerca volvulus 0.0033 0.0358 0.1486
Echinococcus granulosus lamin dm0 0.0033 0.0358 0.0915
Loa Loa (eye worm) hypothetical protein 0.0031 0.0338 0.0863
Plasmodium falciparum ADP-dependent DNA helicase RecQ 0.0021 0.0204 0.4879
Plasmodium vivax importin-beta 2, putative 0.0028 0.0304 0.6594
Brugia malayi Nuclear hormone receptor family member nhr-1 0.001 0.0062 0.0162
Echinococcus multilocularis nuclear receptor 2DBD gamma 0.001 0.0062 0.0062
Echinococcus multilocularis importin 5 0.0005 0.0001 0.0001
Schistosoma mansoni hypothetical protein 0.0171 0.218 0.293
Brugia malayi MH1 domain containing protein 0.001 0.006 0.0155
Trichomonas vaginalis esterase, putative 0.0032 0.0349 0.0925
Echinococcus granulosus COUP TF:Svp nuclear hormone receptor 0.001 0.0062 0.0158
Trichomonas vaginalis D-aminoacylase, putative 0.0032 0.0349 0.0925
Echinococcus granulosus ecdysone induced protein 78C 0.001 0.0062 0.0158
Echinococcus multilocularis translational activator gcn1 0.0005 0.0001 0.0001
Trichomonas vaginalis ap endonuclease, putative 0.0023 0.0229 0.0605
Schistosoma mansoni thyroid hormone receptor 0.001 0.0062 0.0083
Loa Loa (eye worm) pigment dispersing factor receptor c 0.0098 0.1217 0.311
Echinococcus granulosus DNA apurinic or apyrimidinic site lyase 0.0023 0.0229 0.0584
Echinococcus granulosus intermediate filament protein 0.0033 0.0358 0.0915
Echinococcus multilocularis lamin dm0 0.0033 0.0358 0.0358
Echinococcus multilocularis geminin 0.0171 0.218 0.218
Echinococcus multilocularis cadherin EGF LAG seven pass G type receptor 0.0031 0.0338 0.0338
Echinococcus multilocularis Basic leucine zipper (bZIP) transcription 0.0032 0.0349 0.0349
Brugia malayi Intermediate filament tail domain containing protein 0.0033 0.0358 0.0934
Echinococcus granulosus FTZ F1 alpha 0.001 0.0062 0.0158
Schistosoma mansoni hypothetical protein 0.0032 0.0349 0.0468
Trichomonas vaginalis ran, putative 0.0021 0.0205 0.0543
Mycobacterium tuberculosis Conserved protein 0.0032 0.0349 0.0507
Loa Loa (eye worm) nuclear hormone receptor family member nhr-31 0.001 0.0062 0.0158
Brugia malayi exodeoxyribonuclease III family protein 0.0023 0.0229 0.0596
Echinococcus granulosus ATP dependent DNA helicase Q5 0.001 0.0059 0.015
Onchocerca volvulus 0.0033 0.0358 0.1486
Brugia malayi Nuclear hormone receptor family member nhr-41 0.001 0.0062 0.0162
Loa Loa (eye worm) intermediate filament tail domain-containing protein 0.0033 0.0358 0.0915
Echinococcus granulosus cytoplasmic intermediate filament protein 0.0016 0.0137 0.035
Loa Loa (eye worm) hypothetical protein 0.0032 0.0349 0.0892
Loa Loa (eye worm) hypothetical protein 0.001 0.0062 0.0158
Toxoplasma gondii GTP-binding nuclear protein ran/tc4 0.0021 0.0205 0.1236
Entamoeba histolytica hypothetical protein 0.0023 0.0233 0.0617
Brugia malayi MH1 domain containing protein 0.001 0.006 0.0155
Echinococcus multilocularis beta LACTamase domain containing family member 0.0032 0.0349 0.0349
Schistosoma mansoni hypothetical protein 0.0023 0.0234 0.0314
Mycobacterium tuberculosis Probable hydrolase 0.0032 0.0349 0.0507
Loa Loa (eye worm) hypothetical protein 0.0005 0.0002 0.0005
Plasmodium falciparum histone acetyltransferase GCN5 0.0037 0.0416 1
Brugia malayi Nuclear hormone receptor family member nhr-3 0.001 0.0062 0.0162
Loa Loa (eye worm) nuclear hormone receptor family member nhr-41 0.001 0.0062 0.0158
Mycobacterium ulcerans fructose-bisphosphate aldolase 0.0143 0.1802 1
Loa Loa (eye worm) hypothetical protein 0.0033 0.0358 0.0915
Schistosoma mansoni importin-beta 2 0.0005 0.0001 0.0002
Entamoeba histolytica recQ family helicase, putative 0.0013 0.0097 0.0254
Onchocerca volvulus 0.0032 0.0349 0.1441
Entamoeba histolytica exodeoxyribonuclease III, putative 0.0023 0.0229 0.0605
Trichomonas vaginalis cat eye syndrome critical region protein 2, cscr2, putative 0.004 0.046 0.122
Trypanosoma brucei hypothetical protein, conserved 0.0032 0.0349 1
Plasmodium falciparum ATP-dependent DNA helicase Q1 0.001 0.0059 0.139
Mycobacterium tuberculosis Probable esterase LipL 0.0032 0.0349 0.0507
Trichomonas vaginalis importin beta-1, putative 0.0023 0.0233 0.0617
Loa Loa (eye worm) nuclear factor I 0.0005 0.0002 0.0005
Schistosoma mansoni nuclear hormone receptor 0.001 0.0062 0.0083
Echinococcus granulosus importin 5 0.0005 0.0001 0.0003
Onchocerca volvulus 0.0032 0.0349 0.1441
Trichomonas vaginalis fructose-bisphosphate aldolase, putative 0.0292 0.3761 1
Schistosoma mansoni ran 0.0021 0.0205 0.0276
Brugia malayi Calcitonin receptor-like protein seb-1 0.0098 0.1217 0.3174
Trypanosoma cruzi importin beta-1 subunit, putative 0.0023 0.0233 0.5412
Schistosoma mansoni ap endonuclease 0.0023 0.0229 0.0307
Entamoeba histolytica fructose-1,6-bisphosphate aldolase, putative 0.0292 0.3761 1
Echinococcus multilocularis RUN 0.0023 0.0234 0.0234
Echinococcus granulosus lipoxygenase domain containing protein 0.0023 0.0234 0.0598
Brugia malayi Probable ATP-dependent helicase DHX35 0.0297 0.3833 1
Plasmodium vivax histone acetyltransferase GCN5, putative 0.004 0.046 1
Schistosoma mansoni lipoxygenase 0.0097 0.1199 0.1611
Brugia malayi steroid hormone receptor 0.001 0.0062 0.0162
Brugia malayi GTP-binding nuclear protein RAN/TC4 0.0021 0.0205 0.0535
Schistosoma mansoni blooms syndrome DNA helicase 0.0019 0.0176 0.0236
Brugia malayi MH2 domain containing protein 0.0144 0.1822 0.4753
Brugia malayi beta-lactamase family protein 0.0032 0.0349 0.091
Loa Loa (eye worm) nuclear hormone receptor family member nhr-40 0.001 0.0062 0.0158
Mycobacterium ulcerans esterase/lipase LipP 0.0032 0.0349 0.0765
Schistosoma mansoni steroid hormone receptor ad4bp 0.001 0.0062 0.0083
Echinococcus multilocularis FTZ F1 alpha 0.001 0.0062 0.0062
Loa Loa (eye worm) nuclear hormone receptor family member nhr-49 0.001 0.0062 0.0158
Echinococcus granulosus arachidonate 5 lipoxygenase 0.0138 0.1745 0.4458
Loa Loa (eye worm) intermediate filament protein 0.0033 0.0358 0.0915
Loa Loa (eye worm) hypothetical protein 0.0032 0.0349 0.0892
Brugia malayi Ligand-binding domain of nuclear hormone receptor family protein 0.001 0.0062 0.0162
Echinococcus multilocularis lamin 0.0033 0.0358 0.0358
Schistosoma mansoni DNA helicase recq5 0.001 0.0059 0.0079
Echinococcus multilocularis GPCR, family 2 0.0031 0.0338 0.0338
Echinococcus granulosus Nuclear hormone receptor family member nhr 41 0.001 0.0062 0.0158
Toxoplasma gondii histone lysine acetyltransferase GCN5-B 0.004 0.046 0.2779
Toxoplasma gondii MAPEG family protein 0.0131 0.1652 1
Mycobacterium tuberculosis Possible penicillin-binding protein 0.0204 0.2603 1
Loa Loa (eye worm) GTP-binding nuclear protein RAN/TC4 0.0021 0.0205 0.0524
Schistosoma mansoni Smad4 0.001 0.006 0.008
Loa Loa (eye worm) hypothetical protein 0.0023 0.0234 0.0598
Loa Loa (eye worm) hypothetical protein 0.001 0.0062 0.0158
Loa Loa (eye worm) hypothetical protein 0.0264 0.3391 0.8667
Brugia malayi Nuclear hormone receptor family member nhr-19 0.001 0.0062 0.0162
Echinococcus multilocularis FTZ F1 nuclear receptor protein 0.001 0.0062 0.0062
Brugia malayi calcium-independent alpha-latrotoxin receptor 2, putative 0.0031 0.0338 0.0881
Schistosoma mansoni membrane associated proteins in eicosanoid and glutathione metabolism family member 0.0573 0.7441 1
Echinococcus granulosus GPCR family 2 0.0031 0.0338 0.0863
Loa Loa (eye worm) hypothetical protein 0.0023 0.0234 0.0598
Brugia malayi Nuclear hormone receptor family member nhr-49 0.001 0.0062 0.0162
Brugia malayi Steroid receptor seven-up type 2 0.001 0.0062 0.0162
Mycobacterium tuberculosis Probable lipase LipD 0.0032 0.0349 0.0507
Mycobacterium tuberculosis Probable conserved lipoprotein 0.0032 0.0349 0.0507
Toxoplasma gondii exonuclease III APE 0.0023 0.0229 0.1378
Echinococcus granulosus guanine nucleotide binding protein Gs subunit 0.0049 0.0579 0.1481
Brugia malayi Nuclear hormone receptor family member nhr-31 0.001 0.0062 0.0162
Trichomonas vaginalis ap endonuclease, putative 0.0023 0.0229 0.0605
Trypanosoma cruzi GTP-binding nuclear protein rtb2, putative 0.0021 0.0205 0.4305
Brugia malayi beta-lactamase family protein 0.0032 0.0349 0.091
Echinococcus granulosus translational activator gcn1 0.0005 0.0001 0.0003
Toxoplasma gondii histone lysine acetyltransferase GCN5-A 0.004 0.046 0.2779
Entamoeba histolytica Ran family GTPase 0.0021 0.0205 0.0543
Schistosoma mansoni intermediate filament proteins 0.0033 0.0358 0.0481
Giardia lamblia GTP-binding nuclear protein RAN/TC4 0.0021 0.0205 0.0395
Trichomonas vaginalis D-aminoacylase, putative 0.0032 0.0349 0.0925
Loa Loa (eye worm) latrophilin receptor protein 2 0.0031 0.0338 0.0863
Toxoplasma gondii ATP-dependent DNA helicase, RecQ family protein 0.001 0.0059 0.0349
Trichomonas vaginalis penicillin-binding protein, putative 0.0032 0.0349 0.0925
Entamoeba histolytica hypothetical protein 0.0032 0.0349 0.0924
Brugia malayi intermediate filament protein 0.0033 0.0358 0.0934
Entamoeba histolytica hypothetical protein 0.0032 0.0349 0.0924
Leishmania major GTP-binding protein, putative 0.0021 0.0205 0.5867
Entamoeba histolytica acetyltransferase, GNAT family 0.0037 0.0416 0.1103
Schistosoma mansoni FTZ-F1 nuclear receptor-like protein 0.001 0.0062 0.0083
Giardia lamblia Endonuclease/Exonuclease/phosphatase 0.0023 0.0229 0.0458
Brugia malayi Ligand-binding domain of nuclear hormone receptor family protein 0.001 0.0062 0.0162
Schistosoma mansoni nuclear hormone receptor nor-1/nor-2 0.001 0.0062 0.0083
Loa Loa (eye worm) acetyltransferase 0.0137 0.173 0.4422
Onchocerca volvulus 0.0023 0.0234 0.0864
Loa Loa (eye worm) hypothetical protein 0.0032 0.0349 0.0892
Schistosoma mansoni Guanine nucleotide-binding protein G(s) subunit alpha (Adenylate cyclase-stimulating G alpha protein) 0.0049 0.0579 0.0779
Loa Loa (eye worm) importin-beta domain-containing protein 0.0005 0.0001 0.0003
Echinococcus granulosus hepatocyte nuclear factor 4 alpha 0.001 0.0062 0.0158
Echinococcus multilocularis musashi 0.0033 0.0358 0.0358
Echinococcus granulosus Smad4 0.001 0.006 0.0152
Trichomonas vaginalis DNA helicase recq, putative 0.0013 0.0097 0.0254
Loa Loa (eye worm) GTP-binding regulatory protein Gs alpha-S chain 0.0049 0.0579 0.1481
Echinococcus multilocularis importin subunit beta 1 0.0028 0.0304 0.0304
Echinococcus granulosus lamin 0.0033 0.0358 0.0915
Brugia malayi kap beta 3 protein 0.0005 0.0001 0.0003
Schistosoma mansoni hypothetical protein 0.0031 0.0338 0.0454
Entamoeba histolytica hypothetical protein 0.0032 0.0349 0.0924
Echinococcus granulosus transportin 1 0.0005 0.0001 0.0003
Schistosoma mansoni retinoic acid receptor RXR 0.001 0.0062 0.0083
Brugia malayi Nuclear hormone receptor family member nhr-25 0.001 0.0062 0.0162
Echinococcus granulosus RUN 0.0023 0.0234 0.0598
Loa Loa (eye worm) hypothetical protein 0.0028 0.0304 0.0776
Echinococcus multilocularis hepatocyte nuclear factor 4 alpha 0.001 0.0062 0.0062
Schistosoma mansoni polycystin 1-related 0.0023 0.0234 0.0314
Loa Loa (eye worm) kap beta 3 protein 0.0005 0.0001 0.0003
Loa Loa (eye worm) hypothetical protein 0.001 0.0062 0.0158
Echinococcus multilocularis thyroid hormone receptor alpha 0.001 0.0062 0.0062
Schistosoma mansoni retinoid-x-receptor (RXR) 0.001 0.0062 0.0083
Trichomonas vaginalis D-aminoacylase, putative 0.0032 0.0349 0.0925
Loa Loa (eye worm) beta-lactamase 0.0032 0.0349 0.0892
Echinococcus multilocularis TGF beta signal transducer SmadC 0.001 0.006 0.006
Loa Loa (eye worm) nuclear hormone receptor family member nhr-14 0.001 0.0062 0.0158
Loa Loa (eye worm) hypothetical protein 0.0119 0.1494 0.3818
Echinococcus multilocularis Polycystic kidney disease protein 0.0023 0.0234 0.0234
Brugia malayi Importin beta-1 subunit 0.0028 0.0304 0.0792
Echinococcus granulosus importin subunit beta 1 0.0028 0.0304 0.0776
Schistosoma mansoni smad1 5 8 and 0.001 0.006 0.008
Onchocerca volvulus 0.0023 0.0234 0.0864
Echinococcus granulosus diuretic hormone 44 receptor GPRdih2 0.0197 0.2512 0.6421
Loa Loa (eye worm) doublecortin family protein 0.0023 0.0234 0.0598
Schistosoma mansoni loxhd1 0.0023 0.0234 0.0314
Trypanosoma brucei apurinic/apyrimidinic endonuclease, putative 0.0023 0.0229 0.6539
Echinococcus multilocularis microsomal glutathione S transferase 3 0.0131 0.1652 0.1652
Brugia malayi hypothetical protein 0.0032 0.0349 0.0909
Brugia malayi Nuclear hormone receptor family member nhr-14 0.001 0.0062 0.0162
Echinococcus multilocularis COUP TF:Svp nuclear hormone receptor 0.001 0.0062 0.0062
Giardia lamblia Fructose-bisphosphate aldolase 0.0292 0.3761 1
Loa Loa (eye worm) hypothetical protein 0.001 0.0062 0.0158
Trichomonas vaginalis fructose-bisphosphate aldolase, putative 0.0292 0.3761 1
Toxoplasma gondii ABC1 family protein 0.0032 0.0349 0.2107
Brugia malayi hypothetical protein 0.0023 0.0234 0.061
Echinococcus granulosus GTP binding nuclear protein Ran 0.0021 0.0205 0.0524
Trichomonas vaginalis fructose-bisphosphate aldolase, putative 0.0292 0.3761 1
Trichomonas vaginalis fructose-bisphosphate aldolase, putative 0.0292 0.3761 1
Brugia malayi beta-lactamase 0.0032 0.0349 0.091
Loa Loa (eye worm) MH2 domain-containing protein 0.001 0.006 0.0152
Loa Loa (eye worm) cytoplasmic intermediate filament protein 0.0017 0.016 0.0408
Brugia malayi Latrophilin receptor protein 2 0.0031 0.0338 0.0881
Mycobacterium ulcerans hypothetical protein 0.0032 0.0349 0.0765
Trypanosoma cruzi apurinic/apyrimidinic endonuclease, putative 0.0023 0.0229 0.5231
Schistosoma mansoni thyroid hormone receptor 0.001 0.0062 0.0083
Trypanosoma brucei importin beta-1 subunit, putative 0.0028 0.0304 0.87
Mycobacterium tuberculosis Conserved protein 0.0032 0.0349 0.0507
Mycobacterium tuberculosis Probable esterase/lipase LipP 0.0032 0.0349 0.0507
Mycobacterium tuberculosis Probable fructose-bisphosphate aldolase Fba 0.0143 0.1802 0.6626
Echinococcus granulosus beta LACTamase domain containing family member 0.0032 0.0349 0.0892
Echinococcus granulosus nuclear receptor 2DBD gamma 0.001 0.0062 0.0158
Echinococcus granulosus Basic leucine zipper bZIP transcription 0.0032 0.0349 0.0891
Echinococcus multilocularis transportin 1 0.0005 0.0001 0.0001
Loa Loa (eye worm) Smad1 0.001 0.006 0.0152
Loa Loa (eye worm) nuclear Hormone Receptor family member 0.001 0.0062 0.0158
Toxoplasma gondii HEAT repeat-containing protein 0.0028 0.0304 0.1833
Echinococcus multilocularis arachidonate 5 lipoxygenase 0.0138 0.1745 0.1745
Trypanosoma cruzi apurinic/apyrimidinic endonuclease 0.0023 0.0229 0.5231
Mycobacterium tuberculosis Conserved protein 0.0032 0.0349 0.0507
Treponema pallidum fructose-bisphosphate aldolase 0.0292 0.3761 1
Brugia malayi photoreceptor-specific nuclear receptor 0.001 0.0062 0.0162
Loa Loa (eye worm) exodeoxyribonuclease III family protein 0.0023 0.0229 0.0584
Plasmodium vivax hypothetical protein, conserved 0.0032 0.0349 0.758
Entamoeba histolytica fructose-1,6-bisphosphate aldolase, putative 0.0292 0.3761 1
Schistosoma mansoni smad1 5 8 and 0.001 0.006 0.008
Echinococcus granulosus geminin 0.0171 0.218 0.5572
Loa Loa (eye worm) hypothetical protein 0.0032 0.035 0.0895
Brugia malayi nuclear receptor NHR-88 0.001 0.0062 0.0162
Mycobacterium ulcerans beta-lactamase 0.0032 0.0349 0.0765
Onchocerca volvulus Bile acid receptor homolog 0.0162 0.2053 1
Schistosoma mansoni Guanine nucleotide-binding protein G(s) subunit alpha (Adenylate cyclase-stimulating G alpha protein) 0.0049 0.0579 0.0779
Echinococcus multilocularis smad 0.001 0.006 0.006
Schistosoma mansoni DNA helicase recq1 0.001 0.0059 0.0079
Echinococcus granulosus ATP dependent DNA helicase Q1 0.001 0.0059 0.015
Trichomonas vaginalis DNA helicase recq1, putative 0.0024 0.0241 0.0638
Trichomonas vaginalis Importin beta-1 subunit, putative 0.0023 0.0233 0.0617
Trichomonas vaginalis fructose-bisphosphate aldolase, putative 0.0292 0.3761 1
Schistosoma mansoni RAR-like nuclear receptor 0.001 0.0062 0.0083
Echinococcus granulosus TGF beta signal transducer SmadC 0.001 0.006 0.0152
Mycobacterium ulcerans fusion of enoyl-CoA hydratase, EchA21 and lipase, LipE 0.0032 0.0349 0.0765
Wolbachia endosymbiont of Brugia malayi exonuclease III 0.0023 0.0229 0.5
Schistosoma mansoni rab6-interacting 0.0023 0.0234 0.0314
Plasmodium falciparum AP endonuclease (DNA-[apurinic or apyrimidinic site] lyase), putative 0.0023 0.0229 0.5484
Trichomonas vaginalis Importin beta-1 subunit, putative 0.0023 0.0233 0.0617
Schistosoma mansoni smad1 5 8 and 0.001 0.006 0.008
Brugia malayi Nuclear hormone receptor family member nhr-19 0.001 0.0062 0.0162
Loa Loa (eye worm) hypothetical protein 0.0067 0.081 0.207
Plasmodium vivax ADP-dependent DNA helicase RecQ, putative 0.0016 0.0141 0.304
Schistosoma mansoni hypothetical protein 0.0031 0.0338 0.0454
Loa Loa (eye worm) ATP-dependent DNA helicase 0.001 0.0059 0.015
Echinococcus granulosus mothers against decapentaplegic 5 0.001 0.006 0.0152
Loa Loa (eye worm) RecQ helicase 0.0024 0.0241 0.0616
Echinococcus granulosus nuclear receptor 2DBD gamma 0.001 0.0062 0.0158
Echinococcus granulosus lipoxygenase domain containing protein 0.0023 0.0234 0.0598
Loa Loa (eye worm) hypothetical protein 0.0015 0.0129 0.033
Giardia lamblia Histone acetyltransferase GCN5 0.0037 0.0416 0.0964
Onchocerca volvulus 0.0032 0.0349 0.1441
Brugia malayi Hypothetical 52.5 kDa protein ZK945.1 in chromosome II, putative 0.0032 0.0349 0.091
Leishmania major ATP-dependent DEAD/H DNA helicase recQ, putative 0.0013 0.0097 0.2743
Echinococcus multilocularis bloom syndrome protein 0.0024 0.0241 0.0241
Echinococcus granulosus histone acetyltransferase KAT2B 0.004 0.046 0.1175
Loa Loa (eye worm) MH1 domain-containing protein 0.001 0.006 0.0152
Brugia malayi RNA, U transporter 1 0.0081 0.0991 0.2587
Mycobacterium ulcerans lipase LipD 0.0032 0.0349 0.0765
Echinococcus multilocularis lipoxygenase domain containing protein 0.0023 0.0234 0.0234
Brugia malayi Smad1 0.001 0.006 0.0155
Echinococcus granulosus bloom syndrome protein 0.0024 0.0241 0.0616
Schistosoma mansoni hypothetical protein 0.0171 0.218 0.293
Entamoeba histolytica hypothetical protein 0.0032 0.0349 0.0924
Echinococcus granulosus microsomal glutathione S transferase 3 0.0131 0.1652 0.4221
Loa Loa (eye worm) hypothetical protein 0.001 0.0062 0.0158
Schistosoma mansoni family S12 unassigned peptidase (S12 family) 0.0032 0.0349 0.0469
Trypanosoma brucei GTP-binding nuclear protein rtb2, putative 0.0021 0.0205 0.5867
Schistosoma mansoni family S12 unassigned peptidase (S12 family) 0.0032 0.0349 0.0469
Schistosoma mansoni transcription factor LCR-F1 0.0032 0.0349 0.0468
Loa Loa (eye worm) steroid hormone receptor 0.001 0.0062 0.0158
Echinococcus multilocularis Smad4 0.001 0.006 0.006
Schistosoma mansoni microsomal glutathione s-transferase 0.0131 0.1652 0.222
Leishmania major importin beta-1 subunit, putative 0.0023 0.0233 0.667
Plasmodium vivax multidomain scavenger receptor, putative 0.0023 0.0234 0.5072
Schistosoma mansoni hypothetical protein 0.0031 0.0338 0.0454
Schistosoma mansoni lamin 0.0033 0.0358 0.0481
Echinococcus granulosus Polycystic kidney disease protein 0.0023 0.0234 0.0598
Plasmodium vivax AP endonuclease (DNA-[apurinic or apyrimidinic site] lyase), putative 0.0023 0.0229 0.4957
Mycobacterium tuberculosis Probable lipase LipE 0.0032 0.0349 0.0507
Trichomonas vaginalis bromodomain-containing protein, putative 0.004 0.046 0.122
Leishmania major apurinic/apyrimidinic endonuclease-redox protein 0.0023 0.0229 0.6539
Brugia malayi MH1 domain containing protein 0.0005 0.0002 0.0005
Plasmodium falciparum importin beta, putative 0.0028 0.0304 0.7295
Schistosoma mansoni photoreceptor-specific nuclear receptor related 0.001 0.0062 0.0083

Activities

Activity type Activity value Assay description Source Reference
Potency (functional) 2.6169 uM PUBCHEM_BIOASSAY: Primary qHTS for delayed death inhibitors of the malarial parasite plastid, 48 hour incubation. (Class of assay: confirmatory) [Related pubchem assays (depositor defined):AID488752, AID488774, AID504848, AID504850] ChEMBL. No reference
Potency (functional) = 6.3096 um PUBCHEM_BIOASSAY: qHTS Assay for Modulators of Lamin A Splicing. (Class of assay: confirmatory) ChEMBL. No reference
Potency (functional) 7.9433 uM PubChem BioAssay. qHTS Assay for Inhibitors of the Human Apurinic/apyrimidinic Endonuclease 1 (APE1). (Class of assay: confirmatory) ChEMBL. No reference
Potency (functional) 11.2202 uM PUBCHEM_BIOASSAY: qHTS for Inhibitors of TGF-b. (Class of assay: confirmatory) [Related pubchem assays (depositor defined):AID588856, AID588860] ChEMBL. No reference
Potency (functional) = 22.3872 um PUBCHEM_BIOASSAY: qHTS Assay for Inhibitors Targeting the Menin-MLL Interaction in MLL Related Leukemias: Competition With Texas Red Labeled MLL-derived Mutant Peptide. (Class of assay: confirmatory) ChEMBL. No reference
Potency (functional) 22.3872 uM PubChem BioAssay. qHTS of PTHR Inhibitors: Primary Screen. (Class of assay: confirmatory) ChEMBL. No reference
Potency (functional) = 31.6228 um PUBCHEM_BIOASSAY: qHTS Assay for Inhibitors of Aldehyde Dehydrogenase 1 (ALDH1A1). (Class of assay: confirmatory) [Related pubchem assays: 1030 (qHTS Validation Assay for Inhibitors of aldehyde dehydrogenase 1 (ALDH1A1))] ChEMBL. No reference
Potency (functional) 31.6228 uM PUBCHEM_BIOASSAY: qHTS Assay for Inhibitors of Histone Lysine Methyltransferase G9a. (Class of assay: confirmatory) [Related pubchem assays (depositor defined):AID504404] ChEMBL. No reference
Potency (functional) 89.1251 uM PUBCHEM_BIOASSAY: qHTS for Inhibitors of Polymerase Iota. (Class of assay: confirmatory) [Related pubchem assays (depositor defined):AID588623] ChEMBL. No reference

Phenotypes

Whole-cell/tissue/organism interactions

Species name Source Reference Is orphan
Plasmodium falciparum ChEMBL23

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

No literature references available for this target.

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