Detailed information for compound 1420718

Basic information

Technical information
  • TDR Targets ID: 1420718
  • Name: 2-[[2-(4-fluorophenyl)-4-(4-methylphenyl)sulf onyl-1,3-oxazol-5-yl]sulfanyl]-N-(oxolan-2-yl methyl)acetamide
  • MW: 490.568 | Formula: C23H23FN2O5S2
  • H donors: 1 H acceptors: 4 LogP: 4.19 Rotable bonds: 9
    Rule of 5 violations (Lipinski): 1
  • SMILES: O=C(CSc1oc(nc1S(=O)(=O)c1ccc(cc1)C)c1ccc(cc1)F)NCC1CCCO1
  • InChi: 1S/C23H23FN2O5S2/c1-15-4-10-19(11-5-15)33(28,29)22-23(31-21(26-22)16-6-8-17(24)9-7-16)32-14-20(27)25-13-18-3-2-12-30-18/h4-11,18H,2-3,12-14H2,1H3,(H,25,27)
  • InChiKey: JYSVNFISOUWIPY-UHFFFAOYSA-N  


Substructure search Similarity search

Network

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Synonyms

  • 2-[2-(4-fluorophenyl)-4-(4-methylphenyl)sulfonyl-oxazol-5-yl]sulfanyl-N-(tetrahydrofuran-2-ylmethyl)acetamide
  • 2-[[2-(4-fluorophenyl)-4-(4-methylphenyl)sulfonyl-5-oxazolyl]thio]-N-(2-tetrahydrofuranylmethyl)acetamide
  • 2-[[2-(4-fluorophenyl)-4-(4-methylphenyl)sulfonyl-oxazol-5-yl]thio]-N-(tetrahydrofurfuryl)acetamide
  • 2-[[2-(4-fluorophenyl)-4-(4-methylphenyl)sulfonyl-1,3-oxazol-5-yl]sulfanyl]-N-(oxolan-2-ylmethyl)ethanamide
  • EU-0056199
  • 2-({2-(4-fluorophenyl)-4-[(4-methylphenyl)sulfonyl]-1,3-oxazol-5-yl}thio)-N-(tetrahydrofuran-2-ylmethyl)acetamide
  • MLS000086669
  • SMR000022715

Targets

Known targets for this compound

Species Target name Source Bibliographic reference
Homo sapiens APEX nuclease (multifunctional DNA repair enzyme) 1 Starlite/ChEMBL No references
Homo sapiens geminin, DNA replication inhibitor Starlite/ChEMBL No references
Equus caballus Ferritin light chain Starlite/ChEMBL No references
Homo sapiens ataxin 2 Starlite/ChEMBL No references

Predicted pathogen targets for this compound

By orthology
Species Potential target Known druggable target/s Ortholog Group
Schistosoma japonicum DNA-(apurinic or apyrimidinic site) lyase 2, putative 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 multilocularis DNA (apurinic or apyrimidinic site) lyase Get druggable targets OG5_126768 All targets in OG5_126768
Schistosoma japonicum ko:K10771 AP endonuclease 1, putative Get druggable targets OG5_126768 All targets in OG5_126768
Schistosoma japonicum ko:K10772 AP endonuclease 2, putative 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
Trichomonas vaginalis ap endonuclease, putative 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 knowlesi AP endonuclease (DNA-[apurinic or apyrimidinic site] lyase), putative 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
Leishmania major apurinic/apyrimidinic endonuclease-redox protein 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
Leishmania braziliensis apurinic/apyrimidinic endonuclease-redox protein 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
Toxoplasma gondii exonuclease III APE Get druggable targets OG5_126768 All targets in OG5_126768
Brugia malayi exodeoxyribonuclease III family protein Get druggable targets OG5_126768 All targets in OG5_126768
Cryptosporidium hominis dna-(apurinic or apyrimidinic site) lyase 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
Cryptosporidium parvum conserved hypothetical protein 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
Echinococcus granulosus DNA apurinic or apyrimidinic site lyase 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
Wolbachia endosymbiont of Brugia malayi exonuclease III Get druggable targets OG5_126768 All targets in OG5_126768
Entamoeba histolytica exodeoxyribonuclease III, 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
Schistosoma mansoni ap endonuclease 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
Trypanosoma cruzi apurinic/apyrimidinic endonuclease, putative Get druggable targets OG5_126768 All targets in OG5_126768
Trypanosoma cruzi apurinic/apyrimidinic endonuclease Get druggable targets OG5_126768 All targets in OG5_126768
Giardia lamblia Endonuclease/Exonuclease/phosphatase Get druggable targets OG5_126768 All targets in OG5_126768
Mycobacterium ulcerans exodeoxyribonuclease III protein XthA Get druggable targets OG5_126768 All targets in OG5_126768
Neospora caninum hypothetical protein 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
Theileria parva hypothetical protein 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
Loa Loa (eye worm) exodeoxyribonuclease III family protein 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
Treponema pallidum exodeoxyribonuclease (exoA) 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
By sequence similarity to non orthologous known druggable targets
Species Potential target Known druggable target Length Alignment span Identity
Schistosoma mansoni ferritin Ferritin light chain   175 aa 171 aa 44.4 %
Schistosoma mansoni apoferritin-2 Ferritin light chain   175 aa 142 aa 29.6 %
Schistosoma mansoni ferritin Ferritin light chain   175 aa 171 aa 43.9 %
Echinococcus granulosus expressed protein Ferritin light chain   175 aa 146 aa 28.8 %
Echinococcus multilocularis expressed protein Ferritin light chain   175 aa 146 aa 30.1 %
Brugia malayi Hypothetical 65.5 kDa Trp-Asp repeats containing protein F02E8.5 inchromosome X geminin, DNA replication inhibitor 209 aa 176 aa 27.8 %
Schistosoma japonicum Ferritin, putative Ferritin light chain   175 aa 144 aa 24.3 %
Schistosoma mansoni apoferritin-2 Ferritin light chain   175 aa 146 aa 28.8 %
Obtained from network model

Ranking Plot

Putative Targets List

Species Potential target Raw Global Species
Echinococcus multilocularis expressed conserved protein 0.0091 0.0449 0.0449
Loa Loa (eye worm) intermediate filament protein 0.0028 0.0052 0.0295
Brugia malayi exodeoxyribonuclease III family protein 0.0037 0.0109 0.062
Giardia lamblia Endonuclease/Exonuclease/phosphatase 0.0037 0.0109 0.0259
Echinococcus multilocularis expressed conserved protein 0.0207 0.1186 0.1186
Brugia malayi jmjC domain containing protein 0.0096 0.0481 0.2731
Echinococcus multilocularis PHD finger protein rhinoceros 0.0029 0.0058 0.0058
Echinococcus multilocularis neuropeptide s receptor 0.0466 0.2825 0.2825
Plasmodium vivax hypothetical protein, conserved 0.0035 0.0096 0.737
Schistosoma mansoni tar DNA-binding protein 0.0066 0.0291 0.034
Echinococcus granulosus beta LACTamase domain containing family member 0.0035 0.0096 0.0112
Trypanosoma cruzi hypothetical protein, conserved 0.0035 0.0096 0.0895
Brugia malayi Bromodomain containing protein 0.0029 0.0058 0.0331
Schistosoma mansoni hypothetical protein 0.0094 0.047 0.0551
Schistosoma mansoni Guanine nucleotide-binding protein G(s) subunit alpha (Adenylate cyclase-stimulating G alpha protein) 0.0134 0.072 0.0844
Echinococcus multilocularis musashi 0.0028 0.0052 0.0052
Schistosoma mansoni hypothetical protein 0.0204 0.1164 0.1363
Brugia malayi Intermediate filament tail domain containing protein 0.0028 0.0052 0.0295
Plasmodium vivax ataxin-2 like protein, putative 0.003 0.0065 0.1373
Echinococcus granulosus geminin 0.0205 0.1168 0.1368
Schistosoma mansoni microtubule-associated protein tau 0.1369 0.854 1
Toxoplasma gondii ABC1 family protein 0.0035 0.0096 0.1077
Trichomonas vaginalis hypothetical protein 0.0127 0.0674 0.362
Mycobacterium leprae conserved hypothetical protein 0.004 0.0124 0.0422
Loa Loa (eye worm) pigment dispersing factor receptor c 0.0298 0.1762 1
Schistosoma mansoni hypothetical protein 0.0094 0.047 0.0551
Schistosoma mansoni hypothetical protein 0.004 0.0126 0.0148
Schistosoma mansoni hypothetical protein 0.0094 0.047 0.0551
Schistosoma mansoni tar DNA-binding protein 0.0066 0.0291 0.034
Plasmodium falciparum AP endonuclease (DNA-[apurinic or apyrimidinic site] lyase), putative 0.0037 0.0109 1
Loa Loa (eye worm) hypothetical protein 0.0048 0.0179 0.1017
Echinococcus multilocularis peregrin 0.0029 0.0058 0.0058
Loa Loa (eye worm) hypothetical protein 0.0123 0.0652 0.37
Brugia malayi hypothetical protein 0.0084 0.0406 0.2303
Brugia malayi hypothetical protein 0.0123 0.0652 0.37
Echinococcus multilocularis geminin 0.0205 0.1168 0.1168
Echinococcus multilocularis tumor protein p63 0.0331 0.1967 0.1967
Brugia malayi GTP-binding regulatory protein Gs alpha-S chain, putative 0.0134 0.072 0.4089
Mycobacterium tuberculosis Conserved alanine and leucine rich protein 0.004 0.0124 0.0234
Mycobacterium tuberculosis Probable fructose-bisphosphate aldolase Fba 0.014 0.0762 0.5536
Onchocerca volvulus 0.0048 0.0179 0.2749
Leishmania major apurinic/apyrimidinic endonuclease-redox protein 0.0037 0.0109 1
Brugia malayi Hypothetical 52.5 kDa protein ZK945.1 in chromosome II, putative 0.0035 0.0096 0.0544
Echinococcus granulosus expressed conserved protein 0.0091 0.0449 0.0525
Echinococcus multilocularis expressed conserved protein 0.0084 0.0406 0.0406
Loa Loa (eye worm) hypothetical protein 0.0035 0.0096 0.0544
Mycobacterium tuberculosis Possible penicillin-binding protein 0.0225 0.1299 1
Onchocerca volvulus Huntingtin homolog 0.0123 0.0652 1
Wolbachia endosymbiont of Brugia malayi exonuclease III 0.0037 0.0109 0.5
Mycobacterium ulcerans exodeoxyribonuclease III protein XthA 0.0037 0.0109 0.0201
Schistosoma mansoni ap endonuclease 0.0037 0.0109 0.0128
Echinococcus multilocularis guanine nucleotide binding protein G(s) subunit 0.0134 0.072 0.072
Echinococcus granulosus tumor protein p63 0.0331 0.1967 0.2304
Schistosoma mansoni hypothetical protein 0.0205 0.1168 0.1368
Loa Loa (eye worm) hypothetical protein 0.005 0.0191 0.1085
Schistosoma mansoni niemann-pick C1 (NPC1) 0.0098 0.0495 0.058
Entamoeba histolytica hypothetical protein 0.0097 0.0484 0.2021
Loa Loa (eye worm) hypothetical protein 0.0097 0.0486 0.2757
Brugia malayi latrophilin 2 splice variant baaae 0.0204 0.1164 0.6607
Entamoeba histolytica Rad52/22 family double-strand break repair protein, putative 0.0097 0.0484 0.2021
Entamoeba histolytica Niemann-Pick C1 protein, putative 0.0097 0.0486 0.203
Trypanosoma cruzi hypothetical protein, conserved 0.0084 0.0406 1
Loa Loa (eye worm) hypothetical protein 0.0035 0.0096 0.0544
Leishmania major hypothetical protein, conserved 0.0035 0.0096 0.6951
Schistosoma mansoni tar DNA-binding protein 0.0066 0.0291 0.034
Loa Loa (eye worm) hypothetical protein 0.0028 0.0052 0.0295
Schistosoma mansoni Guanine nucleotide-binding protein G(s) subunit alpha (Adenylate cyclase-stimulating G alpha protein) 0.0134 0.072 0.0844
Echinococcus granulosus microtubule associated protein 2 0.1369 0.854 1
Echinococcus multilocularis GPCR, family 2 0.0094 0.047 0.047
Trichomonas vaginalis fructose-bisphosphate aldolase, putative 0.0287 0.1693 1
Schistosoma mansoni cellular tumor antigen P53 0.0048 0.0179 0.021
Echinococcus granulosus neuropeptide receptor A26 0.0466 0.2825 0.3308
Echinococcus multilocularis diuretic hormone 44 receptor GPRdih2 0.0094 0.047 0.047
Mycobacterium leprae Probable fructose bisphosphate aldolase Fba 0.014 0.0762 1
Echinococcus multilocularis cadherin EGF LAG seven pass G type receptor 0.0094 0.047 0.047
Loa Loa (eye worm) hypothetical protein 0.0028 0.0049 0.0276
Onchocerca volvulus 0.0028 0.0052 0.0797
Brugia malayi Latrophilin receptor protein 2 0.0094 0.047 0.267
Echinococcus granulosus tar DNA binding protein 0.0066 0.0291 0.034
Loa Loa (eye worm) hypothetical protein 0.0035 0.0096 0.0544
Brugia malayi RNA binding protein 0.0066 0.0291 0.165
Echinococcus granulosus guanine nucleotide binding protein Gs subunit 0.0134 0.072 0.0844
Brugia malayi jmjC domain containing protein 0.0036 0.0097 0.0553
Brugia malayi hypothetical protein 0.0035 0.0095 0.0536
Echinococcus granulosus cadherin EGF LAG seven pass G type receptor 0.0094 0.047 0.0551
Echinococcus granulosus PHD finger protein rhinoceros 0.0029 0.0058 0.0068
Schistosoma mansoni hypothetical protein 0.004 0.0126 0.0148
Brugia malayi Corticotropin releasing factor receptor 2 precursor, putative 0.0298 0.1762 1
Echinococcus granulosus lysine specific demethylase 5A 0.0036 0.0097 0.0114
Onchocerca volvulus 0.0028 0.0052 0.0797
Echinococcus granulosus Basic leucine zipper bZIP transcription 0.0035 0.0095 0.0111
Brugia malayi RNA recognition motif domain containing protein 0.0066 0.0291 0.165
Trypanosoma cruzi apurinic/apyrimidinic endonuclease 0.0037 0.0109 0.1287
Schistosoma mansoni tar DNA-binding protein 0.0066 0.0291 0.034
Trichomonas vaginalis fructose-bisphosphate aldolase, putative 0.0287 0.1693 1
Trypanosoma cruzi hypothetical protein, conserved 0.0035 0.0096 0.0895
Onchocerca volvulus 0.0035 0.0096 0.147
Loa Loa (eye worm) GTP-binding regulatory protein Gs alpha-S chain 0.0134 0.072 0.4089
Entamoeba histolytica hypothetical protein 0.0127 0.0674 0.3006
Loa Loa (eye worm) hypothetical protein 0.0298 0.1762 1
Echinococcus granulosus jumonji domain containing protein 0.0041 0.0131 0.0154
Loa Loa (eye worm) intermediate filament tail domain-containing protein 0.0028 0.0052 0.0295
Echinococcus granulosus lamin dm0 0.0028 0.0052 0.0061
Schistosoma mansoni jumonji domain containing protein 0.0076 0.0356 0.0417
Echinococcus granulosus Niemann Pick C1 protein 0.0138 0.0749 0.0877
Trichomonas vaginalis conserved hypothetical protein 0.0042 0.0136 0.025
Echinococcus multilocularis tar DNA binding protein 0.0066 0.0291 0.0291
Schistosoma mansoni tar DNA-binding protein 0.0066 0.0291 0.034
Echinococcus multilocularis protein dispatched 1 0.0047 0.0173 0.0173
Echinococcus multilocularis beta catenin 0.0074 0.0342 0.0342
Plasmodium vivax AP endonuclease (DNA-[apurinic or apyrimidinic site] lyase), putative 0.0037 0.0109 1
Loa Loa (eye worm) latrophilin receptor protein 2 0.0094 0.047 0.267
Echinococcus granulosus DNA apurinic or apyrimidinic site lyase 0.0037 0.0109 0.0128
Echinococcus granulosus proteasome assembly chaperone 2 0.0127 0.0674 0.0789
Onchocerca volvulus Cirhin homolog 0.0074 0.0339 0.5205
Loa Loa (eye worm) hypothetical protein 0.0035 0.0096 0.0544
Trypanosoma cruzi apurinic/apyrimidinic endonuclease, putative 0.0037 0.0109 0.1287
Schistosoma mansoni hypothetical protein 0.0035 0.0095 0.0111
Echinococcus granulosus Transcription factor JmjC domain containing protein 0.0096 0.0481 0.0563
Schistosoma mansoni jumonji/arid domain-containing protein 0.0036 0.0097 0.0114
Trichomonas vaginalis ap endonuclease, putative 0.0037 0.0109 0.0084
Schistosoma mansoni lamin 0.0028 0.0052 0.0061
Brugia malayi Calcitonin receptor-like protein seb-1 0.0298 0.1762 1
Schistosoma mansoni ap endonuclease 0.0037 0.0109 0.0128
Echinococcus multilocularis lamin 0.0028 0.0052 0.0052
Plasmodium falciparum ataxin-2 like protein, putative 0.003 0.0065 0.1373
Loa Loa (eye worm) RNA binding protein 0.0066 0.0291 0.165
Brugia malayi beta-lactamase family protein 0.0035 0.0096 0.0544
Trichomonas vaginalis fructose-bisphosphate aldolase, putative 0.0287 0.1693 1
Echinococcus multilocularis Niemann Pick C1 protein 0.0097 0.0486 0.0486
Echinococcus granulosus Niemann Pick C1 protein 0.0097 0.0486 0.0569
Giardia lamblia Fructose-bisphosphate aldolase 0.0287 0.1693 0.8325
Loa Loa (eye worm) MH2 domain-containing protein 0.012 0.0632 0.3587
Mycobacterium ulcerans hypothetical protein 0.004 0.0124 0.0422
Echinococcus granulosus hypothetical protein 0.0181 0.1016 0.119
Schistosoma mansoni hypothetical protein 0.004 0.0126 0.0148
Trichomonas vaginalis fructose-bisphosphate aldolase, putative 0.0287 0.1693 1
Echinococcus multilocularis lysine specific demethylase 5A 0.0036 0.0097 0.0097
Loa Loa (eye worm) hypothetical protein 0.0123 0.0652 0.37
Echinococcus multilocularis jumonji domain containing protein 0.0041 0.0131 0.0131
Trypanosoma brucei hypothetical protein, conserved 0.0035 0.0096 0.6951
Loa Loa (eye worm) hypothetical protein 0.003 0.0065 0.0371
Schistosoma mansoni lamin 0.0028 0.0052 0.0061
Plasmodium falciparum ataxin-2 like protein, putative 0.003 0.0065 0.1373
Onchocerca volvulus Huntingtin homolog 0.0123 0.0652 1
Schistosoma mansoni hypothetical protein 0.0094 0.047 0.0551
Trypanosoma brucei apurinic/apyrimidinic endonuclease, putative 0.0037 0.0109 1
Echinococcus multilocularis DNA (apurinic or apyrimidinic site) lyase 0.0037 0.0109 0.0109
Brugia malayi calcium-independent alpha-latrotoxin receptor 2, putative 0.0094 0.047 0.267
Schistosoma mansoni Guanine nucleotide-binding protein G(s) subunit alpha (Adenylate cyclase-stimulating G alpha protein) 0.0134 0.072 0.0844
Giardia lamblia DNA repair protein RAD52 0.0339 0.2022 1
Treponema pallidum fructose-bisphosphate aldolase 0.0287 0.1693 1
Echinococcus granulosus GPCR family 2 0.0094 0.047 0.0551
Echinococcus multilocularis guanine nucleotide binding protein G(s) subunit 0.0134 0.072 0.072
Loa Loa (eye worm) hypothetical protein 0.0035 0.0096 0.0544
Mycobacterium ulcerans fructose-bisphosphate aldolase 0.014 0.0762 1
Loa Loa (eye worm) jmjC domain-containing protein 0.0036 0.0097 0.0553
Echinococcus granulosus expressed conserved protein 0.0084 0.0406 0.0475
Schistosoma mansoni hypothetical protein 0.0207 0.1186 0.1389
Mycobacterium tuberculosis Conserved hypothetical protein 0.004 0.0124 0.0234
Trichomonas vaginalis ap endonuclease, putative 0.0037 0.0109 0.0084
Echinococcus multilocularis Transcription factor, JmjC domain containing protein 0.0096 0.0481 0.0481
Schistosoma mansoni intermediate filament proteins 0.0028 0.0052 0.0061
Echinococcus granulosus intermediate filament protein 0.0028 0.0052 0.0061
Mycobacterium ulcerans hypothetical protein 0.004 0.0124 0.0422
Echinococcus multilocularis protein pangolin J 0.0183 0.1035 0.1035
Toxoplasma gondii LsmAD domain-containing protein 0.003 0.0065 0.0201
Onchocerca volvulus 0.0035 0.0096 0.147
Loa Loa (eye worm) PHD-finger family protein 0.0029 0.0058 0.0331
Schistosoma mansoni transcription factor LCR-F1 0.0035 0.0095 0.0111
Loa Loa (eye worm) hypothetical protein 0.0035 0.0096 0.0544
Loa Loa (eye worm) jmjC domain-containing protein 0.0061 0.0256 0.1454
Brugia malayi MH2 domain containing protein 0.012 0.0632 0.3587
Echinococcus multilocularis beta LACTamase domain containing family member 0.0035 0.0096 0.0096
Brugia malayi hypothetical protein 0.003 0.0065 0.0371
Mycobacterium tuberculosis Probable exodeoxyribonuclease III protein XthA (exonuclease III) (EXO III) (AP endonuclease VI) 0.0037 0.0109 0.0111
Entamoeba histolytica fructose-1,6-bisphosphate aldolase, putative 0.0287 0.1693 0.8293
Schistosoma mansoni beta-catenin 0.0074 0.0342 0.0401
Schistosoma mansoni hypothetical protein 0.004 0.0126 0.0148
Loa Loa (eye worm) hypothetical protein 0.0204 0.1164 0.6607
Loa Loa (eye worm) hypothetical protein 0.0042 0.0136 0.077
Echinococcus granulosus diuretic hormone 44 receptor GPRdih2 0.0094 0.047 0.0551
Brugia malayi Niemann-Pick C1 protein precursor 0.0097 0.0486 0.2757
Brugia malayi CHE-14 protein 0.0042 0.0136 0.077
Loa Loa (eye worm) hypothetical protein 0.0051 0.0195 0.1106
Echinococcus multilocularis Basic leucine zipper (bZIP) transcription 0.0035 0.0095 0.0095
Schistosoma mansoni family S12 unassigned peptidase (S12 family) 0.0035 0.0096 0.0112
Entamoeba histolytica DNA repair and recombination protein RAD52, putative 0.0339 0.2022 1
Schistosoma mansoni patched 1 0.0042 0.0136 0.0159
Echinococcus granulosus Protein patched homolog 1 0.0042 0.0136 0.0159
Echinococcus granulosus guanine nucleotide binding protein Gs subunit 0.0134 0.072 0.0844
Entamoeba histolytica exodeoxyribonuclease III, putative 0.0037 0.0109 0.0076
Brugia malayi PHD-finger family protein 0.0029 0.0058 0.0331
Echinococcus multilocularis microtubule associated protein 2 0.1369 0.854 0.854
Echinococcus granulosus expressed conserved protein 0.0655 0.4018 0.4705
Schistosoma mansoni hypothetical protein 0.0029 0.0058 0.0068
Loa Loa (eye worm) hypothetical protein 0.0029 0.0058 0.0331
Echinococcus multilocularis Niemann Pick C1 protein 0.0138 0.0749 0.0749
Schistosoma mansoni bromodomain-containing nuclear protein 1 brd1 0.0029 0.0058 0.0068
Echinococcus multilocularis neuropeptide receptor A26 0.0466 0.2825 0.2825
Loa Loa (eye worm) HMP-2 protein 0.0074 0.0342 0.1943
Echinococcus multilocularis sterol regulatory element binding protein 0.0042 0.0136 0.0136
Trichomonas vaginalis fructose-bisphosphate aldolase, putative 0.0287 0.1693 1
Schistosoma mansoni hypothetical protein 0.0205 0.1168 0.1368
Loa Loa (eye worm) RNA recognition domain-containing protein domain-containing protein 0.0066 0.0291 0.165
Loa Loa (eye worm) exodeoxyribonuclease III family protein 0.0037 0.0109 0.062
Loa Loa (eye worm) beta-lactamase 0.0035 0.0096 0.0544
Brugia malayi intermediate filament protein 0.0028 0.0052 0.0295
Schistosoma mansoni hypothetical protein 0.004 0.0124 0.0145
Echinococcus multilocularis proteasome assembly chaperone 2 0.0127 0.0674 0.0674
Brugia malayi TAR-binding protein 0.0066 0.0291 0.165
Echinococcus multilocularis protein patched 0.0042 0.0136 0.0136
Echinococcus granulosus lamin 0.0028 0.0052 0.0061
Toxoplasma gondii hypothetical protein 0.0084 0.0406 1
Onchocerca volvulus Alhambra homolog 0.0029 0.0058 0.0896
Entamoeba histolytica fructose-1,6-bisphosphate aldolase, putative 0.0287 0.1693 0.8293
Schistosoma mansoni hypothetical protein 0.0127 0.0674 0.0789
Echinococcus granulosus sterol regulatory element binding protein 0.0042 0.0136 0.0159
Schistosoma mansoni family S12 unassigned peptidase (S12 family) 0.0035 0.0096 0.0112
Schistosoma mansoni jumonji/arid domain-containing protein 0.0036 0.0097 0.0114
Onchocerca volvulus 0.0035 0.0096 0.147
Mycobacterium leprae conserved hypothetical protein 0.004 0.0124 0.0422
Trichomonas vaginalis fructose-bisphosphate aldolase, putative 0.0287 0.1693 1
Echinococcus granulosus beta catenin 0.0074 0.0342 0.0401
Loa Loa (eye worm) transcription factor SMAD2 0.012 0.0632 0.3587
Loa Loa (eye worm) beta-LACTamase domain containing family member 0.0035 0.0096 0.0544
Loa Loa (eye worm) TAR-binding protein 0.0066 0.0291 0.165
Trichomonas vaginalis fructose-bisphosphate aldolase, putative 0.0287 0.1693 1
Brugia malayi Armadillo/beta-catenin-like repeat family protein 0.0074 0.0342 0.1943
Echinococcus multilocularis lamin dm0 0.0028 0.0052 0.0052
Brugia malayi beta-lactamase family protein 0.0035 0.0096 0.0544
Echinococcus granulosus neuropeptide s receptor 0.0466 0.2825 0.3308
Schistosoma mansoni hypothetical protein 0.0181 0.1016 0.119
Toxoplasma gondii exonuclease III APE 0.0037 0.0109 0.1462
Brugia malayi beta-lactamase 0.0035 0.0096 0.0544
Echinococcus granulosus peregrin 0.0029 0.0058 0.0068
Loa Loa (eye worm) hypothetical protein 0.0094 0.047 0.267
Loa Loa (eye worm) abnormal chemotaxis protein 14 0.0042 0.0136 0.077
Echinococcus granulosus protein pangolin J 0.0183 0.1035 0.1211
Trichomonas vaginalis fructose-bisphosphate aldolase, putative 0.0287 0.1693 1

Activities

Activity type Activity value Assay description Source Reference
Potency (functional) 2.5119 uM PubChem BioAssay. qHTS for Inhibitors of ATXN expression. (Class of assay: confirmatory) ChEMBL. No reference
Potency (binding) = 6.3096 um PUBCHEM_BIOASSAY: qHTS Assay for Identification of Novel General Anesthetics. In this assay, a GABAergic mimetic model system, apoferritin and a profluorescent 1-aminoanthracene ligand (1-AMA), was used to construct a competitive binding assay for identification of novel general anesthetics (Class of assay: confirmatory) [Related pubchem assays: 2385 (Probe Development Summary for Identification of Novel General Anesthetics), 2323 (Validation apoferritin assay run on SigmaAldrich LOPAC1280 collection)] 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) 18.3564 uM PubChem BioAssay. A quantitative high throughput screen for small molecules that induce DNA re-replication in MCF 10a normal breast cells. (Class of assay: confirmatory) ChEMBL. No reference
Potency (functional) = 25.1189 um PUBCHEM_BIOASSAY: qHTS Assay for Anthrax Lethal Toxin Internalization. (Class of assay: confirmatory) ChEMBL. No reference
Potency (functional) = 28.1838 um PUBCHEM_BIOASSAY: qHTS Assay for Identifying the Cell-Membrane Permeable IMPase Inhibitors: Potentiation with Lithium. (Class of assay: confirmatory) [Related pubchem assays: 901 ] ChEMBL. No reference
Potency (functional) = 31.6228 um PUBCHEM_BIOASSAY: qHTS Assay for Promiscuous and Specific Inhibitors of Cruzain (without detergent). (Class of assay: confirmatory) [Related pubchem assays: 2158 (Confirmation qHTS Assay for Inhibitors of Cruzain), 2249 (Probe Development Summary of Promiscuous Inhibitors (Artifacts) of Cruzain), 2161 (qHTS Assay for Inhibitors of Papain: Counterscreen for Cruzain Assay), 1478 (qHTS Assay for Promiscuous and Specific Inhibitors of Cruzain (with detergent))] ChEMBL. No reference
Potency (functional) 35.4813 uM PubChem BioAssay. qHTS for Agonist of gsp, the Etiologic Mutation Responsible for Fibrous Dysplasia/McCune-Albright Syndrome: qHTS. (Class of assay: confirmatory) ChEMBL. No reference
Potency (functional) 39.8107 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

Phenotypes

Whole-cell/tissue/organism interactions

We have no records of whole-cell/tissue assays done with this compound What does this mean?

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

Annotated phenotypes:

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

Bibliographic References

No literature references available for this target.

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