Detailed information for compound 1320484

Basic information

Technical information
  • TDR Targets ID: 1320484
  • Name: 2-(2,2-dimethyl-4-oxochroman-6-yl)oxy-N-(2-mo rpholin-4-ylethyl)acetamide
  • MW: 362.42 | Formula: C19H26N2O5
  • H donors: 1 H acceptors: 2 LogP: 0.97 Rotable bonds: 7
    Rule of 5 violations (Lipinski): 1
  • SMILES: O=C(COc1ccc2c(c1)C(=O)CC(O2)(C)C)NCCN1CCOCC1
  • InChi: 1S/C19H26N2O5/c1-19(2)12-16(22)15-11-14(3-4-17(15)26-19)25-13-18(23)20-5-6-21-7-9-24-10-8-21/h3-4,11H,5-10,12-13H2,1-2H3,(H,20,23)
  • InChiKey: GLEUGNLBINADRB-UHFFFAOYSA-N  


Substructure search Similarity search

Network

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Synonyms

  • 2-(2,2-dimethyl-4-oxo-chroman-6-yl)oxy-N-(2-morpholinoethyl)acetamide
  • 2-[(2,2-dimethyl-4-oxo-6-chromanyl)oxy]-N-(2-morpholinoethyl)acetamide
  • 2-(4-keto-2,2-dimethyl-chroman-6-yl)oxy-N-(2-morpholinoethyl)acetamide
  • 2-(2,2-dimethyl-4-oxo-chroman-6-yl)oxy-N-(2-morpholin-4-ylethyl)ethanamide
  • MLS000519982
  • SMR000130397
  • IDI1_026022
  • EU-0056951
  • ChemDiv3_008112

Targets

Known targets for this compound

Species Target name Source Bibliographic reference
Bacillus subtilis (strain 168) ATP-dependent Clp protease proteolytic subunit Starlite/ChEMBL No references
Homo sapiens glucosidase, beta, acid Starlite/ChEMBL No references
Homo sapiens SMAD family member 2 Starlite/ChEMBL No references

Predicted pathogen targets for this compound

By orthology
Species Potential target Known druggable target/s Ortholog Group
Trichomonas vaginalis glucosylceramidase, putative Get druggable targets OG5_129423 All targets in OG5_129423
Plasmodium berghei ATP-dependent Clp protease proteolytic subunit, putative Get druggable targets OG5_127187 All targets in OG5_127187
Brugia malayi MH2 domain containing protein Get druggable targets OG5_131716 All targets in OG5_131716
Theileria parva ATP-dependent Clp protease proteolytic subunit, putative Get druggable targets OG5_127187 All targets in OG5_127187
Chlamydia trachomatis ATP-dependent Clp protease proteolytic subunit Get druggable targets OG5_127187 All targets in OG5_127187
Brugia malayi Probable ClpP-like protease Get druggable targets OG5_127187 All targets in OG5_127187
Mycobacterium tuberculosis Probable ATP-dependent CLP protease proteolytic subunit 2 ClpP2 (endopeptidase CLP 2) Get druggable targets OG5_127187 All targets in OG5_127187
Babesia bovis ATP-dependent Clp protease proteolytic subunit 1, putative Get druggable targets OG5_127187 All targets in OG5_127187
Echinococcus granulosus peptidase Clp S14 family Get druggable targets OG5_127187 All targets in OG5_127187
Trichomonas vaginalis glucosylceramidase, putative Get druggable targets OG5_129423 All targets in OG5_129423
Trichomonas vaginalis glucosylceramidase, putative Get druggable targets OG5_129423 All targets in OG5_129423
Trichomonas vaginalis glucosylceramidase, putative Get druggable targets OG5_129423 All targets in OG5_129423
Echinococcus multilocularis peptidase Clp (S14 family) Get druggable targets OG5_127187 All targets in OG5_127187
Mycobacterium tuberculosis Probable ATP-dependent CLP protease proteolytic subunit 1 ClpP1 (endopeptidase CLP) Get druggable targets OG5_127187 All targets in OG5_127187
Trichomonas vaginalis glucosylceramidase, putative Get druggable targets OG5_129423 All targets in OG5_129423
Mycobacterium ulcerans ATP-dependent Clp protease proteolytic subunit Get druggable targets OG5_127187 All targets in OG5_127187
Loa Loa (eye worm) hypothetical protein Get druggable targets OG5_127187 All targets in OG5_127187
Trichomonas vaginalis glucosylceramidase, putative Get druggable targets OG5_129423 All targets in OG5_129423
Trichomonas vaginalis glucosylceramidase, putative Get druggable targets OG5_129423 All targets in OG5_129423
Trichomonas vaginalis glucosylceramidase, putative Get druggable targets OG5_129423 All targets in OG5_129423
Echinococcus multilocularis ATP dependent Clp protease proteolytic subunit Get druggable targets OG5_127187 All targets in OG5_127187
Toxoplasma gondii ATP-dependent Clp endopeptidase, proteolytic subunit ClpP domain-containing protein Get druggable targets OG5_127187 All targets in OG5_127187
Mycobacterium leprae PROBABLE ATP-DEPENDENT CLP PROTEASE PROTEOLYTIC SUBUNIT 1 CLPP1 (ENDOPEPTIDASE CLP) Get druggable targets OG5_127187 All targets in OG5_127187
Trichomonas vaginalis glucosylceramidase, putative Get druggable targets OG5_129423 All targets in OG5_129423
Plasmodium falciparum ATP-dependent Clp protease proteolytic subunit Get druggable targets OG5_127187 All targets in OG5_127187
Loa Loa (eye worm) O-glycosyl hydrolase family 30 protein Get druggable targets OG5_129423 All targets in OG5_129423
Trichomonas vaginalis glucosylceramidase, putative Get druggable targets OG5_129423 All targets in OG5_129423
Loa Loa (eye worm) MH2 domain-containing protein Get druggable targets OG5_131716 All targets in OG5_131716
Plasmodium knowlesi ATP-dependent Clp protease proteolytic subunit, putative Get druggable targets OG5_127187 All targets in OG5_127187
Schistosoma japonicum ko:K06275 parvin, putative Get druggable targets OG5_127187 All targets in OG5_127187
Toxoplasma gondii ATP-dependent Clp endopeptidase, proteolytic subunit ClpP domain-containing protein Get druggable targets OG5_127187 All targets in OG5_127187
Trichomonas vaginalis glucosylceramidase, putative Get druggable targets OG5_129423 All targets in OG5_129423
Mycobacterium leprae PROBABLE ATP-DEPENDENT CLP PROTEASE PROTEOLYTIC SUBUNIT 2 CLPP2 (ENDOPEPTIDASE CLP 2) Get druggable targets OG5_127187 All targets in OG5_127187
Chlamydia trachomatis ATP-dependent Clp protease proteolytic subunit Get druggable targets OG5_127187 All targets in OG5_127187
Trichomonas vaginalis glucosylceramidase, putative Get druggable targets OG5_129423 All targets in OG5_129423
Mycobacterium ulcerans ATP-dependent Clp protease proteolytic subunit Get druggable targets OG5_127187 All targets in OG5_127187
Trichomonas vaginalis glucosylceramidase, putative Get druggable targets OG5_129423 All targets in OG5_129423
Schistosoma japonicum ko:K01358 ATP-dependent Clp protease, protease subunit [EC3.4.21.92], putative Get druggable targets OG5_127187 All targets in OG5_127187
Neospora caninum ATP-dependent Clp protease proteolytic subunit, related Get druggable targets OG5_127187 All targets in OG5_127187
Loa Loa (eye worm) transcription factor SMAD2 Get druggable targets OG5_131716 All targets in OG5_131716
Plasmodium vivax ATP-dependent Clp protease proteolytic subunit, putative Get druggable targets OG5_127187 All targets in OG5_127187
Theileria parva ATP-dependent Clp protease proteolytic subunit, putative Get druggable targets OG5_127187 All targets in OG5_127187
Plasmodium yoelii ATP-dependent Clp protease, proteolytic subunit ClpP, putative Get druggable targets OG5_127187 All targets in OG5_127187
Brugia malayi O-Glycosyl hydrolase family 30 protein Get druggable targets OG5_129423 All targets in OG5_129423
Trichomonas vaginalis glucosylceramidase, putative Get druggable targets OG5_129423 All targets in OG5_129423
Schistosoma mansoni peptidase Clp (S14 family) Get druggable targets OG5_127187 All targets in OG5_127187
Trichomonas vaginalis glucosylceramidase, putative Get druggable targets OG5_129423 All targets in OG5_129423
Echinococcus granulosus ATP dependent Clp protease proteolytic subunit Get druggable targets OG5_127187 All targets in OG5_127187
Onchocerca volvulus Glucosylceramidase homolog Get druggable targets OG5_129423 All targets in OG5_129423
Treponema pallidum ATP-dependent Clp protease proteolytic subunit Get druggable targets OG5_127187 All targets in OG5_127187
Wolbachia endosymbiont of Brugia malayi ATP-dependent Clp protease proteolytic subunit Get druggable targets OG5_127187 All targets in OG5_127187
By sequence similarity to non orthologous known druggable targets
Species Potential target Known druggable target Length Alignment span Identity
Mycobacterium leprae ATP-dependent Clp protease proteolytic subunit 1 ATP-dependent Clp protease proteolytic subunit   197 aa 172 aa 57.0 %
Chlamydia trachomatis hypothetical protein ATP-dependent Clp protease proteolytic subunit   197 aa 171 aa 22.8 %
Plasmodium yoelii Clp protease ATP-dependent Clp protease proteolytic subunit   197 aa 183 aa 36.6 %
Schistosoma mansoni neuropeptide receptor ATP-dependent Clp protease proteolytic subunit   197 aa 174 aa 20.1 %
Plasmodium vivax ATP-dependent Clp protease proteolytic subunit, putative ATP-dependent Clp protease proteolytic subunit   197 aa 189 aa 35.5 %
Plasmodium knowlesi ATP-dependent Clp protease proteolytic subunit, putative ATP-dependent Clp protease proteolytic subunit   197 aa 189 aa 36.0 %
Brugia malayi MH2 domain containing protein SMAD family member 2 467 aa 405 aa 31.6 %
Babesia bovis ATP-dependent Clp protease proteolytic subunit, putative ATP-dependent Clp protease proteolytic subunit   197 aa 188 aa 41.5 %
Plasmodium falciparum ATP-dependent Clp protease proteolytic subunit ATP-dependent Clp protease proteolytic subunit   197 aa 183 aa 36.1 %
Plasmodium berghei ATP-dependent Clp protease proteolytic subunit, putative ATP-dependent Clp protease proteolytic subunit   197 aa 180 aa 36.7 %
Treponema pallidum ATP-dependent Clp protease proteolytic subunit ATP-dependent Clp protease proteolytic subunit   197 aa 186 aa 40.3 %
Onchocerca volvulus Putative V-type proton ATPase subunit F ATP-dependent Clp protease proteolytic subunit   197 aa 194 aa 54.1 %
Babesia bovis ATP-dependent Clp protease proteolytic subunit, putative ATP-dependent Clp protease proteolytic subunit   197 aa 188 aa 41.5 %
Obtained from network model

Ranking Plot

Putative Targets List

Species Potential target Raw Global Species
Giardia lamblia DNA damage repair protein 0.0088 0.0436 0.2297
Trichomonas vaginalis DNA polymerase eta, putative 0.0284 0.1856 0.8836
Echinococcus granulosus FTZ F1 alpha 0.0053 0.0181 0.0181
Trypanosoma cruzi hypothetical protein 0.0072 0.0321 0.0768
Loa Loa (eye worm) hypothetical protein 0.0053 0.0181 0.0425
Loa Loa (eye worm) nuclear hormone receptor family member nhr-1 0.0053 0.0181 0.0425
Schistosoma mansoni hypothetical protein 0.0066 0.0276 0.0276
Brugia malayi Corticotropin releasing factor receptor 2 precursor, putative 0.0209 0.1312 0.308
Loa Loa (eye worm) nuclear hormone receptor family member nhr-49 0.0615 0.426 1
Echinococcus multilocularis GPCR, family 2 0.0066 0.0276 0.0276
Loa Loa (eye worm) transcription factor SMAD2 0.0239 0.153 0.3592
Loa Loa (eye worm) hypothetical protein 0.0029 0.0011 0.0025
Loa Loa (eye worm) nuclear hormone receptor family member nhr-40 0.0053 0.0181 0.0425
Trypanosoma brucei DNA polymerase IV, putative 0.0284 0.1856 1
Mycobacterium ulcerans DNA polymerase IV 0.0284 0.1856 1
Trypanosoma brucei hypothetical protein, conserved 0.0088 0.0436 0.2305
Schistosoma mansoni hypothetical protein 0.0315 0.2079 0.2079
Schistosoma mansoni jumonji domain containing protein 0.0077 0.0358 0.0358
Brugia malayi Ligand-binding domain of nuclear hormone receptor family protein 0.0053 0.0181 0.0425
Trichomonas vaginalis DNA polymerase IV / kappa, putative 0.0284 0.1856 0.8836
Trypanosoma brucei DNA damage repair protein, putative 0.0088 0.0436 0.2305
Trypanosoma brucei DNA polymerase eta, putative 0.0284 0.1856 1
Brugia malayi ImpB/MucB/SamB family protein 0.0284 0.1856 0.4357
Loa Loa (eye worm) hypothetical protein 0.0088 0.0436 0.1024
Loa Loa (eye worm) RNA binding protein 0.0134 0.0769 0.1805
Treponema pallidum ATP-dependent Clp protease proteolytic subunit 0.0094 0.0482 1
Trichomonas vaginalis glucosylceramidase, putative 0.0205 0.1281 0.5525
Trypanosoma brucei DNA polymerase kappa, putative 0.0284 0.1856 1
Trypanosoma brucei DNA polymerase IV, putative 0.0284 0.1856 1
Schistosoma mansoni hypothetical protein 0.003 0.0013 0.0013
Schistosoma mansoni photoreceptor-specific nuclear receptor related 0.0053 0.0181 0.0181
Toxoplasma gondii hypothetical protein 0.0033 0.0033 0.047
Loa Loa (eye worm) hypothetical protein 0.0053 0.0181 0.0425
Leishmania major DNA polymerase eta, putative 0.0088 0.0436 0.1461
Brugia malayi Importin beta-1 subunit 0.0029 0.0011 0.0025
Trypanosoma brucei DNA polymerase kappa, putative 0.0196 0.1217 0.6537
Schistosoma mansoni FTZ-F1 nuclear receptor-like protein 0.0053 0.0181 0.0181
Schistosoma mansoni steroid hormone receptor ad4bp 0.0053 0.0181 0.0181
Loa Loa (eye worm) hypothetical protein 0.0053 0.0181 0.0425
Brugia malayi Steroid receptor seven-up type 2 0.0053 0.0181 0.0425
Brugia malayi TAR-binding protein 0.0134 0.0769 0.1805
Trypanosoma cruzi DNA polymerase eta, putative 0.0284 0.1856 1
Schistosoma mansoni nuclear hormone receptor 0.0053 0.0181 0.0181
Brugia malayi Latrophilin receptor protein 2 0.0066 0.0276 0.0649
Brugia malayi Nuclear hormone receptor family member nhr-3 0.0053 0.0181 0.0425
Loa Loa (eye worm) hypothetical protein 0.0094 0.0482 0.1131
Trypanosoma brucei hypothetical protein, conserved 0.0088 0.0436 0.2305
Echinococcus multilocularis ATP dependent Clp protease proteolytic subunit 0.0094 0.0482 0.0482
Toxoplasma gondii BRCA1 C Terminus (BRCT) domain-containing protein 0.0088 0.0436 0.903
Brugia malayi hypothetical protein 0.0035 0.0053 0.0124
Echinococcus granulosus cadherin EGF LAG seven pass G type receptor 0.0066 0.0276 0.0276
Mycobacterium leprae PROBABLE ATP-DEPENDENT CLP PROTEASE PROTEOLYTIC SUBUNIT 2 CLPP2 (ENDOPEPTIDASE CLP 2) 0.0094 0.0482 1
Echinococcus multilocularis nuclear receptor 2DBD gamma 0.0053 0.0181 0.0181
Onchocerca volvulus Glucosylceramidase homolog 0.0205 0.1281 1
Leishmania major DNA damage repair protein, putative 0.0088 0.0436 0.1461
Trichomonas vaginalis glucosylceramidase, putative 0.0312 0.2059 1
Loa Loa (eye worm) RNA recognition domain-containing protein domain-containing protein 0.0134 0.0769 0.1805
Brugia malayi jmjC domain containing protein 0.0036 0.0058 0.0136
Trypanosoma brucei unspecified product 0.0284 0.1856 1
Schistosoma mansoni jumonji/arid domain-containing protein 0.0036 0.0058 0.0058
Loa Loa (eye worm) hypothetical protein 0.0284 0.1856 0.4357
Brugia malayi polk-prov protein 0.0088 0.0436 0.1024
Leishmania major DNA polymerase eta, putative 0.0284 0.1856 1
Loa Loa (eye worm) ImpB/MucB/SamB family protein 0.0284 0.1856 0.4357
Schistosoma mansoni hypothetical protein 0.0066 0.0276 0.0276
Trichomonas vaginalis glucosylceramidase, putative 0.0216 0.1361 0.5984
Brugia malayi Probable ClpP-like protease 0.0094 0.0482 0.1131
Chlamydia trachomatis ATP-dependent Clp protease proteolytic subunit 0.0094 0.0482 0.5
Schistosoma mansoni peptidase Clp (S14 family) 0.0094 0.0482 0.0482
Loa Loa (eye worm) nuclear Hormone Receptor family member 0.0053 0.0181 0.0425
Echinococcus multilocularis sentrin specific protease 8 0.0072 0.0321 0.0321
Loa Loa (eye worm) hypothetical protein 0.0066 0.0276 0.0649
Leishmania major DNA polymerase kappa, putative,DNA polymerase IV, putative 0.0284 0.1856 1
Trichomonas vaginalis glucosylceramidase, putative 0.0312 0.2059 1
Echinococcus multilocularis ecdysone induced protein 78C 0.0053 0.0181 0.0181
Trichomonas vaginalis glucosylceramidase, putative 0.0216 0.1361 0.5984
Brugia malayi nuclear hormone receptor 0.0053 0.0181 0.0425
Schistosoma mansoni retinoid-x-receptor (RXR) 0.0053 0.0181 0.0181
Schistosoma mansoni Tr4/Tr2 (homologue) 0.0053 0.0181 0.0181
Echinococcus multilocularis lysine specific demethylase 5A 0.0036 0.0058 0.0058
Echinococcus granulosus expressed protein 0.0378 0.2538 0.2538
Schistosoma mansoni hypothetical protein 0.0066 0.0276 0.0276
Loa Loa (eye worm) steroid hormone receptor 0.0053 0.0181 0.0425
Trypanosoma brucei chrX additional, unordered contigs 0.0088 0.0436 0.2305
Plasmodium falciparum ATP-dependent Clp protease proteolytic subunit 0.0094 0.0482 1
Echinococcus multilocularis peregrin 0.003 0.0013 0.0013
Echinococcus multilocularis terminal deoxycytidyl transferase rev1 0.0284 0.1856 0.1856
Brugia malayi Nuclear hormone receptor-like 1 0.0053 0.0181 0.0425
Trypanosoma brucei unspecified product 0.0196 0.1217 0.6537
Brugia malayi Nuclear hormone receptor family member nhr-19 0.0053 0.0181 0.0425
Onchocerca volvulus Bile acid receptor homolog 0.0053 0.0181 0.1329
Mycobacterium leprae PROBABLE ATP-DEPENDENT CLP PROTEASE PROTEOLYTIC SUBUNIT 1 CLPP1 (ENDOPEPTIDASE CLP) 0.0062 0.0246 0.4744
Mycobacterium ulcerans ATP-dependent Clp protease proteolytic subunit 0.0094 0.0482 0.0322
Brugia malayi hypothetical protein 0.0055 0.0193 0.0453
Echinococcus multilocularis hepatocyte nuclear factor 4 alpha 0.0615 0.426 0.426
Loa Loa (eye worm) hypothetical protein 0.0051 0.0167 0.0392
Onchocerca volvulus Protein ultraspiracle homolog 0.0053 0.0181 0.1329
Loa Loa (eye worm) latrophilin receptor protein 2 0.0066 0.0276 0.0649
Trypanosoma brucei DNA polymerase kappa, putative 0.0284 0.1856 1
Schistosoma mansoni tar DNA-binding protein 0.0134 0.0769 0.0769
Brugia malayi nuclear receptor NHR-88 0.0053 0.0181 0.0425
Brugia malayi PHD-finger family protein 0.003 0.0013 0.003
Brugia malayi ecdysteroid receptor 0.0053 0.0181 0.0425
Echinococcus granulosus sentrin specific protease 8 0.0072 0.0321 0.0321
Toxoplasma gondii ATP-dependent Clp endopeptidase, proteolytic subunit ClpP domain-containing protein 0.0094 0.0482 1
Echinococcus multilocularis geminin 0.1407 1 1
Onchocerca volvulus 0.0053 0.0181 0.1329
Schistosoma mansoni tar DNA-binding protein 0.0134 0.0769 0.0769
Trypanosoma brucei DNA polymerase kappa, putative 0.0088 0.0436 0.2305
Loa Loa (eye worm) jmjC domain-containing protein 0.0061 0.0242 0.0569
Schistosoma mansoni tar DNA-binding protein 0.0134 0.0769 0.0769
Chlamydia trachomatis ATP-dependent Clp protease proteolytic subunit 0.0094 0.0482 0.5
Trypanosoma brucei DNA polymerase kappa, putative 0.0284 0.1856 1
Trypanosoma cruzi hypothetical protein, conserved 0.0088 0.0436 0.1461
Trypanosoma cruzi DNA polymerase kappa, putative 0.0284 0.1856 1
Trypanosoma brucei DNA polymerase kappa, putative 0.0196 0.1217 0.6537
Toxoplasma gondii PHD-finger domain-containing protein 0.003 0.0013 0.0041
Trichomonas vaginalis glucosylceramidase, putative 0.0312 0.2059 1
Echinococcus multilocularis expressed protein 0.0378 0.2538 0.2538
Echinococcus granulosus terminal deoxycytidyl transferase rev1 0.0284 0.1856 0.1856
Brugia malayi Nuclear hormone receptor family member nhr-41 0.0053 0.0181 0.0425
Echinococcus granulosus snurportin 1 0.0315 0.2079 0.2079
Loa Loa (eye worm) hypothetical protein 0.0053 0.0181 0.0425
Schistosoma mansoni retinoic acid receptor RXR 0.0053 0.0181 0.0181
Echinococcus multilocularis FTZ F1 alpha 0.0053 0.0181 0.0181
Brugia malayi RNA, U transporter 1 0.0084 0.0405 0.0951
Echinococcus multilocularis tar DNA binding protein 0.0134 0.0769 0.0769
Loa Loa (eye worm) hypothetical protein 0.0053 0.0181 0.0425
Leishmania major DNA polymerase kappa, putative 0.0088 0.0436 0.1461
Trypanosoma cruzi hypothetical protein, conserved 0.0088 0.0436 0.1461
Echinococcus granulosus Nuclear hormone receptor family member nhr 41 0.0053 0.0181 0.0181
Echinococcus granulosus nuclear receptor 2DBD gamma 0.0053 0.0181 0.0181
Plasmodium falciparum ataxin-2 like protein, putative 0.0055 0.0193 0.3869
Schistosoma mansoni bromodomain-containing nuclear protein 1 brd1 0.003 0.0013 0.0013
Brugia malayi O-Glycosyl hydrolase family 30 protein 0.0312 0.2059 0.4832
Loa Loa (eye worm) hypothetical protein 0.0143 0.0833 0.1955
Brugia malayi jmjC domain containing protein 0.0097 0.0504 0.1182
Schistosoma mansoni hypothetical protein 0.1407 1 1
Trypanosoma cruzi DNA polymerase kappa, putative 0.0284 0.1856 1
Echinococcus granulosus peptidase Clp S14 family 0.0062 0.0246 0.0246
Entamoeba histolytica deoxycytidyl transferase, putative 0.0284 0.1856 1
Brugia malayi Calcitonin receptor-like protein seb-1 0.0209 0.1312 0.308
Echinococcus multilocularis nuclear receptor 2DBD gamma 0.0053 0.0181 0.0181
Loa Loa (eye worm) pigment dispersing factor receptor c 0.0209 0.1312 0.308
Loa Loa (eye worm) Ulp1 protease 0.0072 0.0321 0.0753
Schistosoma mansoni hepatocyte nuclear factor 4-alpha (hnf-4-alpha) 0.0587 0.4057 0.4057
Loa Loa (eye worm) nuclear hormone receptor family member nhr-14 0.0053 0.0181 0.0425
Loa Loa (eye worm) hypothetical protein 0.0209 0.1312 0.308
Brugia malayi Ligand-binding domain of nuclear hormone receptor family protein 0.0053 0.0181 0.0425
Leishmania major DNA polymerase kappa, putative 0.0284 0.1856 1
Schistosoma mansoni importin beta-1 0.0029 0.0011 0.0011
Echinococcus granulosus retinoic acid receptor rxr beta a 0.0053 0.0181 0.0181
Trypanosoma brucei DNA polymerase kappa, putative 0.0284 0.1856 1
Echinococcus multilocularis diuretic hormone 44 receptor GPRdih2 0.0066 0.0276 0.0276
Brugia malayi RNA binding protein 0.0134 0.0769 0.1805
Mycobacterium ulcerans DNA polymerase IV 0.0284 0.1856 1
Schistosoma mansoni tar DNA-binding protein 0.0134 0.0769 0.0769
Loa Loa (eye worm) hypothetical protein 0.0055 0.0193 0.0453
Echinococcus multilocularis importin subunit beta 1 0.0029 0.0011 0.0011
Loa Loa (eye worm) nuclear hormone receptor family member nhr-31 0.0053 0.0181 0.0425
Plasmodium vivax ATP-dependent Clp protease proteolytic subunit, putative 0.0033 0.0033 0.047
Loa Loa (eye worm) TAR-binding protein 0.0134 0.0769 0.1805
Brugia malayi Ulp1 protease family, C-terminal catalytic domain containing protein 0.0072 0.0321 0.0753
Toxoplasma gondii PHD-finger domain-containing protein 0.003 0.0013 0.0041
Trypanosoma cruzi DNA polymerase kappa, putative 0.0284 0.1856 1
Trichomonas vaginalis glucosylceramidase, putative 0.0205 0.1281 0.5525
Schistosoma mansoni rab geranylgeranyl transferase alpha subunit 0.0284 0.1856 0.1856
Schistosoma mansoni hypothetical protein 0.0143 0.0833 0.0833
Schistosoma mansoni DNA polymerase IV / kappa 0.0088 0.0436 0.0436
Schistosoma mansoni thyroid hormone receptor 0.0053 0.0181 0.0181
Echinococcus multilocularis snurportin 1 0.0315 0.2079 0.2079
Brugia malayi Nuclear hormone receptor family member nhr-40 0.0053 0.0181 0.0425
Loa Loa (eye worm) hypothetical protein 0.003 0.0013 0.003
Toxoplasma gondii ImpB/MucB/SamB family protein 0.0088 0.0436 0.903
Echinococcus multilocularis dna polymerase kappa 0.0284 0.1856 0.1856
Mycobacterium ulcerans ATP-dependent Clp protease proteolytic subunit 0.0094 0.0482 0.0322
Plasmodium vivax hypothetical protein, conserved 0.003 0.0013 0.0041
Echinococcus multilocularis cadherin EGF LAG seven pass G type receptor 0.0066 0.0276 0.0276
Brugia malayi steroid hormone receptor 0.0053 0.0181 0.0425
Plasmodium falciparum phd finger protein, putative 0.003 0.0013 0.0041
Echinococcus granulosus jumonji domain containing protein 0.0041 0.0097 0.0097
Plasmodium falciparum ATP-dependent Clp protease proteolytic subunit 0.0033 0.0033 0.047
Trypanosoma cruzi DNA damage repair protein, putative 0.0088 0.0436 0.1461
Schistosoma mansoni jumonji/arid domain-containing protein 0.0036 0.0058 0.0058
Schistosoma mansoni nuclear hormone receptor nor-1/nor-2 0.0053 0.0181 0.0181
Brugia malayi Nuclear hormone receptor family member nhr-49 0.0615 0.426 1
Brugia malayi Nuclear hormone receptor family member nhr-25 0.0053 0.0181 0.0425
Echinococcus granulosus dna polymerase kappa 0.0284 0.1856 0.1856
Echinococcus granulosus ATP dependent Clp protease proteolytic subunit 0.0094 0.0482 0.0482
Trypanosoma brucei DNA polymerase kappa, putative 0.0284 0.1856 1
Echinococcus granulosus tar DNA binding protein 0.0134 0.0769 0.0769
Trypanosoma cruzi DNA polymerase eta, putative 0.0088 0.0436 0.1461
Giardia lamblia DINP protein human, muc B family 0.0284 0.1856 1
Trichomonas vaginalis glucosylceramidase, putative 0.0312 0.2059 1
Brugia malayi Nuclear hormone receptor family member nhr-1 0.0053 0.0181 0.0425
Echinococcus multilocularis PHD finger protein rhinoceros 0.003 0.0013 0.0013
Trypanosoma brucei DNA polymerase kappa, putative 0.0284 0.1856 1
Toxoplasma gondii LsmAD domain-containing protein 0.0055 0.0193 0.3869
Echinococcus multilocularis peptidase Clp (S14 family) 0.0062 0.0246 0.0246
Trichomonas vaginalis glucosylceramidase, putative 0.0205 0.1281 0.5525
Echinococcus granulosus importin subunit beta 1 0.0029 0.0011 0.0011
Brugia malayi Nuclear hormone receptor family member nhr-19 0.0053 0.0181 0.0425
Echinococcus multilocularis Transcription factor, JmjC domain containing protein 0.0097 0.0504 0.0504
Mycobacterium tuberculosis Conserved hypothetical protein 0.0284 0.1856 1
Loa Loa (eye worm) hypothetical protein 0.0053 0.0181 0.0425
Brugia malayi latrophilin 2 splice variant baaae 0.0143 0.0833 0.1955
Echinococcus granulosus hepatocyte nuclear factor 4 alpha 0.0615 0.426 0.426
Echinococcus granulosus COUP TF:Svp nuclear hormone receptor 0.0053 0.0181 0.0181
Brugia malayi ImpB/MucB/SamB family protein 0.0284 0.1856 0.4357
Trichomonas vaginalis glucosylceramidase, putative 0.0205 0.1281 0.5525
Brugia malayi Bromodomain containing protein 0.003 0.0013 0.003
Trichomonas vaginalis glucosylceramidase, putative 0.0205 0.1281 0.5525
Echinococcus multilocularis COUP TF:Svp nuclear hormone receptor 0.0053 0.0181 0.0181
Trypanosoma brucei DNA damage repair protein, putative 0.0088 0.0436 0.2305
Plasmodium falciparum ataxin-2 like protein, putative 0.0055 0.0193 0.3869
Loa Loa (eye worm) O-glycosyl hydrolase family 30 protein 0.0312 0.2059 0.4832
Trichomonas vaginalis glucosylceramidase, putative 0.0205 0.1281 0.5525
Loa Loa (eye worm) PHD-finger family protein 0.003 0.0013 0.003
Echinococcus multilocularis jumonji domain containing protein 0.0041 0.0097 0.0097
Trypanosoma cruzi DNA polymerase kappa, putative 0.0284 0.1856 1
Loa Loa (eye worm) MH2 domain-containing protein 0.0239 0.153 0.3592
Brugia malayi MH2 domain containing protein 0.0239 0.153 0.3592
Schistosoma mansoni tar DNA-binding protein 0.0134 0.0769 0.0769
Schistosoma mansoni DNA polymerase eta 0.0284 0.1856 0.1856
Wolbachia endosymbiont of Brugia malayi ATP-dependent Clp protease proteolytic subunit 0.0094 0.0482 0.5
Toxoplasma gondii ATP-dependent Clp endopeptidase, proteolytic subunit ClpP domain-containing protein 0.0094 0.0482 1
Echinococcus granulosus ecdysone induced protein 78C 0.0053 0.0181 0.0181
Trypanosoma brucei DNA polymerase kappa, putative 0.0284 0.1856 1
Loa Loa (eye worm) nucleolar RNA-associated protein alpha 0.0315 0.2079 0.4881
Echinococcus granulosus lysine specific demethylase 5A 0.0036 0.0058 0.0058
Brugia malayi Nuclear hormone receptor family member nhr-25 0.0053 0.0181 0.0425
Loa Loa (eye worm) nuclear hormone receptor family member nhr-41 0.0053 0.0181 0.0425
Brugia malayi Nuclear hormone receptor family member nhr-14 0.0053 0.0181 0.0425
Trypanosoma brucei PAB1-binding protein , putative 0.0055 0.0193 0.0988
Trichomonas vaginalis glucosylceramidase, putative 0.0205 0.1281 0.5525
Echinococcus granulosus diuretic hormone 44 receptor GPRdih2 0.0066 0.0276 0.0276
Plasmodium falciparum DNA repair protein REV1, putative 0.0088 0.0436 0.903
Trypanosoma brucei DNA polymerase kappa, putative 0.0284 0.1856 1
Schistosoma mansoni terminal deoxycytidyl transferase 0.0284 0.1856 0.1856
Trypanosoma brucei DNA polymerase kappa, putative 0.0284 0.1856 1
Echinococcus granulosus FTZ F1 nuclear receptor protein 0.0053 0.0181 0.0181
Plasmodium vivax DNA repair protein REV1, putative 0.0088 0.0436 0.903
Schistosoma mansoni hypothetical protein 0.1407 1 1
Echinococcus granulosus PHD finger protein rhinoceros 0.003 0.0013 0.0013
Loa Loa (eye worm) jmjC domain-containing protein 0.0036 0.0058 0.0136
Loa Loa (eye worm) hypothetical protein 0.0053 0.0181 0.0425
Plasmodium vivax ATP-dependent Clp protease proteolytic subunit, putative 0.0094 0.0482 1
Trichomonas vaginalis glucosylceramidase, putative 0.0312 0.2059 1
Echinococcus multilocularis Nuclear hormone receptor family member nhr 41 0.0053 0.0181 0.0181
Trypanosoma brucei DNA polymerase kappa, putative 0.0088 0.0436 0.2305
Loa Loa (eye worm) hypothetical protein 0.0053 0.0181 0.0425
Trypanosoma cruzi DNA damage repair protein, putative 0.0088 0.0436 0.1461
Schistosoma mansoni nuclear receptor 2DBD-gamma 0.0053 0.0181 0.0181
Schistosoma mansoni RAR-like nuclear receptor 0.0053 0.0181 0.0181
Echinococcus multilocularis FTZ F1 nuclear receptor protein 0.0053 0.0181 0.0181
Trypanosoma brucei DNA polymerase kappa, putative 0.0196 0.1217 0.6537
Echinococcus granulosus GPCR family 2 0.0066 0.0276 0.0276
Echinococcus granulosus dna polymerase eta 0.0284 0.1856 0.1856
Trypanosoma brucei DNA polymerase IV, putative 0.0284 0.1856 1
Brugia malayi photoreceptor-specific nuclear receptor 0.0053 0.0181 0.0425
Trypanosoma brucei DNA polymerase kappa, putative 0.0284 0.1856 1
Schistosoma mansoni family C48 unassigned peptidase (C48 family) 0.0072 0.0321 0.0321
Echinococcus granulosus Transcription factor JmjC domain containing protein 0.0097 0.0504 0.0504
Onchocerca volvulus Steroid hormone receptor family member cnr14 homolog 0.0053 0.0181 0.1329
Echinococcus granulosus nuclear receptor 2DBD gamma 0.0053 0.0181 0.0181
Schistosoma mansoni coup transcription factor 0.0053 0.0181 0.0181
Echinococcus multilocularis dna polymerase eta 0.0284 0.1856 0.1856
Brugia malayi calcium-independent alpha-latrotoxin receptor 2, putative 0.0066 0.0276 0.0649
Plasmodium vivax ataxin-2 like protein, putative 0.0055 0.0193 0.3869
Brugia malayi Nuclear hormone receptor family member nhr-31 0.0053 0.0181 0.0425
Schistosoma mansoni hypothetical protein 0.0066 0.0276 0.0276
Trichomonas vaginalis glucosylceramidase, putative 0.0312 0.2059 1
Brugia malayi RNA recognition motif domain containing protein 0.0134 0.0769 0.1805
Echinococcus granulosus peregrin 0.003 0.0013 0.0013
Trypanosoma brucei unspecified product 0.0196 0.1217 0.6537
Toxoplasma gondii ImpB/MucB/SamB family protein 0.0088 0.0436 0.903
Echinococcus multilocularis thyroid hormone receptor alpha 0.0053 0.0181 0.0181
Mycobacterium tuberculosis Possible DNA-damage-inducible protein P DinP (DNA polymerase V) (pol IV 2) (DNA nucleotidyltransferase (DNA-directed)) 0.0284 0.1856 1
Schistosoma mansoni thyroid hormone receptor 0.0053 0.0181 0.0181

Activities

Activity type Activity value Assay description Source Reference
Potency (functional) 0.5012 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) 0.631 uM PUBCHEM_BIOASSAY: qHTS for Inhibitors of TGF-b: Cytotox Counterscreen. (Class of assay: confirmatory) [Related pubchem assays (depositor defined):AID588855, AID588860] ChEMBL. No reference
Potency (functional) 10 uM PubChem BioAssay. qHTS Assay for Activators of ClpP. (Class of assay: confirmatory) ChEMBL. No reference
Potency (functional) 17.7828 uM PUBCHEM_BIOASSAY: qHTS Assay for Inhibitors and Activators of N370S glucocerebrosidase as a Potential Chaperone Treatment of Gaucher Disease. (Class of assay: confirmatory) [Related pubchem assays (depositor defined):AID1473, AID2293, AID2577, AID2578, AID2587, AID2588, AID2589, AID2590, AID2592, AID2593, AID2595, AID2596, AID2597, AID2613, AID2671, AID488845] ChEMBL. No reference
Potency (functional) = 25.1189 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) 25.1189 uM PubChem BioAssay. Inhibitors of Secretory Acid Sphingomyelinase (S-ASM): qHTS. (Class of assay: confirmatory) ChEMBL. No reference
Potency (functional) = 28.1838 um PUBCHEM_BIOASSAY: qHTS Assay for Inhibitors of Human Jumonji Domain Containing 2E (JMJD2E). (Class of assay: confirmatory) ChEMBL. No reference
Potency (binding) = 31.6228 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) = 35.4813 um PUBCHEM_BIOASSAY: qHTS Assay for Inhibitors of HPGD (15-Hydroxyprostaglandin Dehydrogenase). (Class of assay: confirmatory) [Related pubchem assays: 2429 (Confirmation qHTS Assay for Inhibitors of HPGD (15-Hydroxyprostaglandin Dehydrogenase)), 2407 (Probe Development Summary for Inhibitors of HPGD (15-Hydroxyprostaglandin Dehydrogenase)), 2427 (Thermal Shift Assay for Inhibitors of HPGD (15-Hydroxyprostaglandin Dehydrogenase))] ChEMBL. No reference
Potency (functional) 39.8107 uM PUBCHEM_BIOASSAY: qHTS Assay for Substrates of Mammalian Selenoprotein Thioredoxin Reductase 1 (TrxR1): qHTS. (Class of assay: confirmatory) [Related pubchem assays (depositor defined):AID488771] ChEMBL. No reference
Potency (functional) = 44.6684 um PUBCHEM_BIOASSAY: qHTS Assay for Inhibitors and Activators of Human alpha-Galactosidase From Spleen Homogenate. (Class of assay: confirmatory) [Related pubchem assays: 1472, 1467 ] ChEMBL. No reference
Potency (functional) = 50.1187 um PUBCHEM_BIOASSAY: qHTS Assay for Inhibitors of Human alpha-Glucosidase as a Potential Chaperone Treatment of Pompe Disease. (Class of assay: confirmatory) [Related pubchem assays: 997 ] ChEMBL. No reference
Potency (functional) = 50.1187 um PUBCHEM_BIOASSAY: qHTS Assay for Activators of Human alpha-Glucosidase as a Potential Chaperone Treatment of Pompe Disease. (Class of assay: confirmatory) [Related pubchem assays: 1467, 2100, 2112, 1473, 1466 ] ChEMBL. No reference

Phenotypes

Whole-cell/tissue/organism interactions

Species name Source Reference Is orphan
Homo sapiens 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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