Detailed information for compound 1449149

Basic information

Technical information
  • TDR Targets ID: 1449149
  • Name: 1-(2,1,3-benzothiadiazol-7-ylsulfonyl)-N-(2,3 -dihydro-1,4-benzodioxin-7-yl)piperidine-3-ca rboxamide
  • MW: 460.527 | Formula: C20H20N4O5S2
  • H donors: 1 H acceptors: 5 LogP: 1.99 Rotable bonds: 5
    Rule of 5 violations (Lipinski): 1
  • SMILES: O=C(C1CCCN(C1)S(=O)(=O)c1cccc2c1nsn2)Nc1ccc2c(c1)OCCO2
  • InChi: 1S/C20H20N4O5S2/c25-20(21-14-6-7-16-17(11-14)29-10-9-28-16)13-3-2-8-24(12-13)31(26,27)18-5-1-4-15-19(18)23-30-22-15/h1,4-7,11,13H,2-3,8-10,12H2,(H,21,25)
  • InChiKey: DUEAIPYZGYMABQ-UHFFFAOYSA-N  


Substructure search Similarity search

Network

Hover on a compound node to display the structore

Synonyms

  • 1-(2,1,3-benzothiadiazol-7-ylsulfonyl)-N-(2,3-dihydro-1,4-benzodioxin-7-yl)-3-piperidinecarboxamide
  • N-(2,3-dihydro-1,4-benzodioxin-7-yl)-1-piazthiol-4-ylsulfonyl-nipecotamide
  • MLS000521827
  • SMR000132235

Targets

Known targets for this compound

Species Target name Source Bibliographic reference
Influenza A virus Nonstructural protein 1 Starlite/ChEMBL No references
Homo sapiens lamin A/C Starlite/ChEMBL No references
Homo sapiens muscleblind-like splicing regulator 1 Starlite/ChEMBL No references
Rattus norvegicus Inositol monophosphatase 1 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) intermediate filament protein 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
Echinococcus granulosus muscleblind protein Get druggable targets OG5_132352 All targets in OG5_132352
Brugia malayi Intermediate filament tail domain containing protein Get druggable targets OG5_128723 All targets in OG5_128723
Neospora caninum hypothetical protein Get druggable targets OG5_126810 All targets in OG5_126810
Echinococcus multilocularis muscleblind protein 1 Get druggable targets OG5_132352 All targets in OG5_132352
Trypanosoma cruzi myo-inositol-1(or 4)-monophosphatase 1, putative Get druggable targets OG5_126810 All targets in OG5_126810
Trypanosoma cruzi myo-inositol-1(or 4)-monophosphatase 1, putative Get druggable targets OG5_126810 All targets in OG5_126810
Loa Loa (eye worm) hypothetical protein Get druggable targets OG5_132352 All targets in OG5_132352
Echinococcus multilocularis cytoplasmic intermediate filament protein Get druggable targets OG5_128723 All targets in OG5_128723
Schistosoma japonicum ko:K01092 myo-inositol-1(or 4)-monophosphatase [EC3.1.3.25], putative Get druggable targets OG5_126810 All targets in OG5_126810
Leishmania donovani myo-inositol-1(or 4)-monophosphatase 1, putative Get druggable targets OG5_126810 All targets in OG5_126810
Leishmania infantum myo-inositol-1(or 4)-monophosphatase 1, putative Get druggable targets OG5_126810 All targets in OG5_126810
Schistosoma mansoni lamin Get druggable targets OG5_128723 All targets in OG5_128723
Trichomonas vaginalis myo inositol monophosphatase, putative Get druggable targets OG5_126810 All targets in OG5_126810
Loa Loa (eye worm) hypothetical protein Get druggable targets OG5_128723 All targets in OG5_128723
Echinococcus multilocularis musashi Get druggable targets OG5_128723 All targets in OG5_128723
Schistosoma mansoni inositol monophosphatase Get druggable targets OG5_126810 All targets in OG5_126810
Echinococcus granulosus intermediate filament protein Get druggable targets OG5_128723 All targets in OG5_128723
Schistosoma japonicum expressed protein Get druggable targets OG5_128723 All targets in OG5_128723
Schistosoma mansoni inositol monophosphatase Get druggable targets OG5_126810 All targets in OG5_126810
Schistosoma japonicum Lamin-C, putative Get druggable targets OG5_128723 All targets in OG5_128723
Mycobacterium tuberculosis Inositol-1-monophosphatase SuhB Get druggable targets OG5_126810 All targets in OG5_126810
Schistosoma mansoni intermediate filament proteins 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
Loa Loa (eye worm) hypothetical protein Get druggable targets OG5_128723 All targets in OG5_128723
Brugia malayi intermediate filament protein Get druggable targets OG5_128723 All targets in OG5_128723
Leishmania mexicana myo-inositol-1(or 4)-monophosphatase 1, putative Get druggable targets OG5_126810 All targets in OG5_126810
Brugia malayi Inositol-1 Get druggable targets OG5_126810 All targets in OG5_126810
Echinococcus multilocularis muscleblind protein Get druggable targets OG5_132352 All targets in OG5_132352
Echinococcus multilocularis lamin dm0 Get druggable targets OG5_128723 All targets in OG5_128723
Leishmania braziliensis myo-inositol-1(or 4)-monophosphatase 1, putative Get druggable targets OG5_126810 All targets in OG5_126810
Onchocerca volvulus Get druggable targets OG5_128723 All targets in OG5_128723
Wolbachia endosymbiont of Brugia malayi fructose-1,6-bisphosphatase Get druggable targets OG5_126810 All targets in OG5_126810
Schistosoma mansoni lamin Get druggable targets OG5_128723 All targets in OG5_128723
Echinococcus granulosus lamin Get druggable targets OG5_128723 All targets in OG5_128723
Loa Loa (eye worm) inositol-1 Get druggable targets OG5_126810 All targets in OG5_126810
Trichomonas vaginalis inositol monophosphatase, putative Get druggable targets OG5_126810 All targets in OG5_126810
Mycobacterium leprae possible inositol monophosphatase SubH (IMPase) (inositol-1-phosphatase) (I-1-Pase ). Get druggable targets OG5_126810 All targets in OG5_126810
Mycobacterium ulcerans extragenic suppressor protein SuhB Get druggable targets OG5_126810 All targets in OG5_126810
Echinococcus multilocularis lamin 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
Schistosoma japonicum ko:K07611 lamin, putative Get druggable targets OG5_128723 All targets in OG5_128723
Schistosoma japonicum expressed 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
Echinococcus granulosus lamin dm0 Get druggable targets OG5_128723 All targets in OG5_128723
Toxoplasma gondii inositol(myo)-1(or 4)-monophosphatase 2, putative Get druggable targets OG5_126810 All targets in OG5_126810
Echinococcus multilocularis inositol monophosphatase 1 Get druggable targets OG5_126810 All targets in OG5_126810
Entamoeba histolytica myo-inositol monophosphatase, putative Get druggable targets OG5_126810 All targets in OG5_126810
Loa Loa (eye worm) hypothetical protein Get druggable targets OG5_128723 All targets in OG5_128723
Trypanosoma congolense inositol-1(or 4)-monophosphatase 1, putative Get druggable targets OG5_126810 All targets in OG5_126810
Trypanosoma brucei gambiense inositol-1(or 4)-monophosphatase 1, putative Get druggable targets OG5_126810 All targets in OG5_126810
Echinococcus granulosus cytoplasmic intermediate filament protein Get druggable targets OG5_128723 All targets in OG5_128723
Brugia malayi Muscleblind-like protein Get druggable targets OG5_132352 All targets in OG5_132352
Trichomonas vaginalis myo inositol monophosphatase, putative Get druggable targets OG5_126810 All targets in OG5_126810
Echinococcus granulosus inositol monophosphatase 1 Get druggable targets OG5_126810 All targets in OG5_126810
Onchocerca volvulus Get druggable targets OG5_128723 All targets in OG5_128723
Trypanosoma brucei inositol-1(or 4)-monophosphatase 1, putative Get druggable targets OG5_126810 All targets in OG5_126810
Loa Loa (eye worm) hypothetical protein Get druggable targets OG5_132352 All targets in OG5_132352
Leishmania major myo-inositol-1(or 4)-monophosphatase 1, putative Get druggable targets OG5_126810 All targets in OG5_126810
By sequence similarity to non orthologous known druggable targets
Species Potential target Known druggable target Length Alignment span Identity
Candida albicans one of two closely related genes similar to S. cerevisiae MET22/HAL2 (YOL064C) bisphosphate-3'-nucleotidase, implicated in salt Inositol monophosphatase 1   277 aa 307 aa 22.5 %
Trypanosoma cruzi inositol polyphosphate 1-phosphatase, putative Inositol monophosphatase 1   277 aa 291 aa 23.7 %
Schistosoma japonicum ko:K01082 3'(2'), 5'-bisphosphate nucleotidase [EC3.1.3.7], putative Inositol monophosphatase 1   277 aa 275 aa 21.5 %
Schistosoma mansoni pap-inositol-14-phosphatase Inositol monophosphatase 1   277 aa 279 aa 22.9 %
Loa Loa (eye worm) hypothetical protein Inositol monophosphatase 1   277 aa 298 aa 23.8 %
Trichomonas vaginalis inositol monophosphatase, putative Inositol monophosphatase 1   277 aa 258 aa 21.7 %
Trichomonas vaginalis diphosphonucleoside phosphohydrolase, putative Inositol monophosphatase 1   277 aa 263 aa 21.7 %
Trypanosoma brucei inositol-1(or 4)-monophosphatase, putative Inositol monophosphatase 1   277 aa 304 aa 27.3 %
Candida albicans one of two closely related genes similar to S. cerevisiae MET22/HAL2 (YOL064C) bisphosphate-3'-nucleotidase, implicated in salt Inositol monophosphatase 1   277 aa 306 aa 22.5 %
Onchocerca volvulus Putative trans-2-enoyl-CoA reductase 1, mitochondrial Inositol monophosphatase 1   277 aa 278 aa 23.0 %
Trypanosoma brucei gambiense inositol-1(or 4)-monophosphatase, putative Inositol monophosphatase 1   277 aa 309 aa 27.8 %
Brugia malayi Inositol monophosphatase family protein Inositol monophosphatase 1   277 aa 238 aa 21.8 %
Trichomonas vaginalis myo inositol monophosphatase, putative Inositol monophosphatase 1   277 aa 276 aa 21.4 %
Entamoeba histolytica 3(2),5-bisphosphate nucleotidase, putative Inositol monophosphatase 1   277 aa 263 aa 24.0 %
Trypanosoma cruzi myo-inositol-1 phosphatase, putative Inositol monophosphatase 1   277 aa 284 aa 30.6 %
Candida albicans one of two closely related genes similar to S. cerevisiae MET22/HAL2 (YOL064C) bisphosphate-3'-nucleotidase, implicated in salt Inositol monophosphatase 1   277 aa 300 aa 22.0 %
Trypanosoma congolense inositol-1(or 4)-monophosphatase, putative Inositol monophosphatase 1   277 aa 304 aa 28.9 %
Mycobacterium tuberculosis Hypothetical protein Nonstructural protein 1   230 aa 202 aa 23.8 %
Onchocerca volvulus Putative 28S ribosomal protein S10, mitochondrial Inositol monophosphatase 1   277 aa 271 aa 46.1 %
Entamoeba histolytica 3(2),5-bisphosphate nucleotidase, putative Inositol monophosphatase 1   277 aa 287 aa 22.3 %
Trichomonas vaginalis inositol monophosphatase, putative Inositol monophosphatase 1   277 aa 268 aa 22.4 %
Dictyostelium discoideum 3',5'-bisphosphate nucleotidase 1 Inositol monophosphatase 1   277 aa 275 aa 22.2 %
Dictyostelium discoideum 3',5'-bisphosphate nucleotidase Inositol monophosphatase 1   277 aa 230 aa 25.2 %
Onchocerca volvulus Inositol monophosphatase 1   277 aa 238 aa 22.7 %
Obtained from network model

Ranking Plot

Putative Targets List

Species Potential target Raw Global Species
Brugia malayi Calcitonin receptor-like protein seb-1 0.034 0.4891 0.4891
Loa Loa (eye worm) hypothetical protein 0.0233 0.3173 0.3173
Schistosoma mansoni hypothetical protein 0.0108 0.1179 0.349
Schistosoma mansoni hypothetical protein 0.0108 0.1179 0.349
Trichomonas vaginalis myo inositol monophosphatase, putative 0.0045 0.0173 0.0511
Toxoplasma gondii inositol(myo)-1(or 4)-monophosphatase 2, putative 0.0045 0.0173 1
Echinococcus granulosus Upstream activation factor subunit UAF30 0.0042 0.0126 0.0212
Treponema pallidum peptidyl-prolyl cis-trans isomerase, FKBP-type, 22 kDa (fklB) 0.0245 0.3378 1
Onchocerca volvulus Adenylate cyclase type 3 homolog 0.0157 0.1967 0.9307
Echinococcus multilocularis fk506 binding protein 0.0245 0.3378 0.5672
Trichomonas vaginalis myo inositol monophosphatase, putative 0.0045 0.0173 0.0511
Loa Loa (eye worm) hypothetical protein 0.0155 0.1929 0.1929
Wolbachia endosymbiont of Brugia malayi fructose-1,6-bisphosphatase 0.0045 0.0173 1
Schistosoma mansoni immunophilin FK506 binding protein FKBP12 0.0245 0.3378 1
Echinococcus multilocularis SWI:SNF matrix associated 0.0042 0.0126 0.0212
Echinococcus multilocularis adenylate cyclase type IX 0.008 0.0732 0.1229
Schistosoma mansoni brg-1 associated factor 0.0042 0.0126 0.0374
Trichomonas vaginalis fk506-binding protein, putative 0.0245 0.3378 1
Loa Loa (eye worm) brahma associated protein 0.0042 0.0126 0.0126
Leishmania major myo-inositol-1(or 4)-monophosphatase 1, putative 0.0045 0.0173 0.0511
Brugia malayi FKBP-type peptidyl-prolyl cis-trans isomerase-12, BmFKBP-12 0.0245 0.3378 0.3378
Echinococcus granulosus muscleblind protein 0.018 0.234 0.3929
Plasmodium vivax 70 kDa peptidylprolyl isomerase, putative 0.0245 0.3378 1
Loa Loa (eye worm) hypothetical protein 0.018 0.234 0.234
Brugia malayi Inositol-1 0.0045 0.0173 0.0173
Trichomonas vaginalis peptidylprolyl isomerase, putative 0.0245 0.3378 1
Schistosoma mansoni hypothetical protein 0.0233 0.3173 0.9393
Echinococcus granulosus adenylate cyclase type IX 0.008 0.0732 0.1229
Echinococcus granulosus peptidyl prolyl cis trans isomerase FKBP4 0.0212 0.2839 0.4767
Plasmodium vivax hypothetical protein, conserved 0.0042 0.0126 0.0374
Echinococcus multilocularis SWI:SNF matrix associated 0.0042 0.0126 0.0212
Brugia malayi brahma associated protein 60 kDa 0.0042 0.0126 0.0126
Trichomonas vaginalis peptidylprolyl isomerase, putative 0.0245 0.3378 1
Brugia malayi Corticotropin releasing factor receptor 2 precursor, putative 0.064 0.9668 0.9668
Plasmodium falciparum peptidyl-prolyl cis-trans isomerase FKBP35 0.0245 0.3378 1
Trichomonas vaginalis immunophilin, putative 0.0245 0.3378 1
Echinococcus granulosus peptidyl prolyl cis trans isomerase FKBP1A 0.0245 0.3378 0.5672
Toxoplasma gondii SWIB/MDM2 domain-containing protein 0.0042 0.0126 0.7308
Brugia malayi Muscleblind-like protein 0.018 0.234 0.234
Brugia malayi calcium-independent alpha-latrotoxin receptor 2, putative 0.0108 0.1179 0.1179
Mycobacterium leprae possible inositol monophosphatase SubH (IMPase) (inositol-1-phosphatase) (I-1-Pase ). 0.004 0.0098 1
Loa Loa (eye worm) latrophilin receptor protein 2 0.0108 0.1179 0.1179
Entamoeba histolytica myo-inositol monophosphatase, putative 0.0045 0.0173 0.0511
Echinococcus multilocularis muscleblind protein 0.018 0.234 0.3929
Loa Loa (eye worm) FKBP5 protein 0.0245 0.3378 0.3378
Trypanosoma cruzi peptidyl-prolyl cis-trans isomerase, putative 0.0245 0.3378 1
Loa Loa (eye worm) SWIB/MDM2 domain-containing protein 0.0042 0.0126 0.0126
Leishmania major fk506-binding protein 1-like protein 0.0245 0.3378 1
Entamoeba histolytica peptidyl-prolyl cis-trans isomerase, FKBP-type , putative 0.0245 0.3378 1
Brugia malayi brahma associated protein 60 kDa 0.0042 0.0126 0.0126
Echinococcus granulosus cadherin EGF LAG seven pass G type receptor 0.0108 0.1179 0.198
Brugia malayi latrophilin 2 splice variant baaae 0.0233 0.3173 0.3173
Echinococcus multilocularis adenylate cyclase 9 0.0057 0.0365 0.0613
Loa Loa (eye worm) hypothetical protein 0.018 0.234 0.234
Echinococcus multilocularis GPCR, family 2 0.0108 0.1179 0.198
Entamoeba histolytica peptidyl-prolyl cis-trans isomerase, FKBP-type, putative 0.0245 0.3378 1
Schistosoma mansoni hypothetical protein 0.0108 0.1179 0.349
Loa Loa (eye worm) hypothetical protein 0.0057 0.0365 0.0365
Trypanosoma cruzi myo-inositol-1(or 4)-monophosphatase 1, putative 0.0045 0.0173 0.0511
Echinococcus granulosus SWI:SNF matrix associated 0.0042 0.0126 0.0212
Schistosoma mansoni peptide (allatostatin)-like receptor 0.0166 0.2114 0.6258
Brugia malayi SWIB/MDM2 domain containing protein 0.0042 0.0126 0.0126
Plasmodium falciparum SWIB/MDM2 domain-containing protein 0.0042 0.0126 0.0374
Brugia malayi sulfakinin receptor protein 0.066 1 1
Loa Loa (eye worm) hypothetical protein 0.0108 0.1179 0.1179
Toxoplasma gondii DNA topoisomerase domain-containing protein 0.0042 0.0126 0.7308
Echinococcus multilocularis allatostatin A receptor 0.0166 0.2114 0.355
Echinococcus multilocularis diuretic hormone 44 receptor GPRdih2 0.0407 0.5956 1
Schistosoma mansoni hypothetical protein 0.0042 0.0126 0.0374
Echinococcus granulosus allatostatin A receptor 0.0166 0.2114 0.355
Onchocerca volvulus 0.0057 0.0365 0.1728
Trypanosoma cruzi peptidyl-prolyl cis-trans isomerase, putative 0.0245 0.3378 1
Trypanosoma cruzi myo-inositol-1(or 4)-monophosphatase 1, putative 0.0045 0.0173 0.0511
Schistosoma mansoni inositol monophosphatase 0.0045 0.0173 0.0511
Brugia malayi FKBP-type peptidyl-prolyl cis-trans isomerase-59, BmFKBP59 0.0245 0.3378 0.3378
Schistosoma mansoni hypothetical protein 0.0108 0.1179 0.349
Mycobacterium ulcerans FK-506 binding protein, peptidyl-prolyl cis-trans isomerase 0.0245 0.3378 1
Onchocerca volvulus 0.0042 0.0126 0.0597
Chlamydia trachomatis DNA topoisomerase I 0.0042 0.0126 1
Loa Loa (eye worm) hypothetical protein 0.064 0.9668 0.9668
Echinococcus multilocularis peptidyl prolyl cis trans isomerase FKBP4 0.0245 0.3378 0.5672
Schistosoma mansoni immunophilin 0.0212 0.2839 0.8404
Echinococcus granulosus peptidyl prolyl cis trans isomerase FKBP4 0.0245 0.3378 0.5672
Echinococcus multilocularis muscleblind protein 1 0.018 0.234 0.3929
Onchocerca volvulus 0.0166 0.2114 1
Echinococcus multilocularis SWI:SNF matrix associated 0.0042 0.0126 0.0212
Trypanosoma brucei inositol-1(or 4)-monophosphatase 1, putative 0.0045 0.0173 0.0511
Loa Loa (eye worm) inositol-1 0.0045 0.0173 0.0173
Chlamydia trachomatis SWIB complex protein 0.0042 0.0126 1
Schistosoma mansoni inositol monophosphatase 0.0045 0.0173 0.0511
Plasmodium vivax SWIB/MDM2 domain-containing protein, putative 0.0042 0.0126 0.0374
Plasmodium falciparum SWIB/MDM2 domain-containing protein 0.0042 0.0126 0.0374
Trichomonas vaginalis conserved hypothetical protein 0.0042 0.0126 0.0374
Echinococcus multilocularis inositol monophosphatase 1 0.0045 0.0173 0.029
Loa Loa (eye worm) hypothetical protein 0.0212 0.2839 0.2839
Schistosoma mansoni immunophilin 0.0245 0.3378 1
Onchocerca volvulus Adenylate cyclase type 2 homolog 0.0057 0.0365 0.1728
Trypanosoma brucei peptidyl-prolyl cis-trans isomerase, putative 0.0245 0.3378 1
Giardia lamblia 70 kDa peptidylprolyl isomerase, putative 0.0245 0.3378 1
Loa Loa (eye worm) hypothetical protein 0.066 1 1
Echinococcus granulosus diuretic hormone 44 receptor GPRdih2 0.0407 0.5956 1
Trypanosoma cruzi FK506-binding protein (FKBP)-type peptidyl-prolyl isomerase, putative 0.0245 0.3378 1
Loa Loa (eye worm) adenylyl cyclase 3 0.0134 0.1598 0.1598
Trypanosoma cruzi FK506-binding protein (FKBP)-type peptidyl-prolyl isomerase, putative 0.0245 0.3378 1
Echinococcus granulosus GPCR family 2 0.0108 0.1179 0.198
Trichomonas vaginalis inositol monophosphatase, putative 0.0045 0.0173 0.0511
Echinococcus multilocularis cadherin EGF LAG seven pass G type receptor 0.0108 0.1179 0.198
Brugia malayi Adenylyl cyclase protein 0.0057 0.0365 0.0365
Echinococcus multilocularis peptidyl prolyl cis trans isomerase FKBP4 0.0212 0.2839 0.4767
Brugia malayi Latrophilin receptor protein 2 0.0108 0.1179 0.1179
Trypanosoma brucei FK506-binding protein (FKBP)-type peptidyl-prolyl isomerase, putative 0.0245 0.3378 1
Loa Loa (eye worm) pigment dispersing factor receptor c 0.034 0.4891 0.4891
Echinococcus granulosus inositol monophosphatase 1 0.0045 0.0173 0.029
Echinococcus granulosus adenylate cyclase 9 0.0057 0.0365 0.0613
Schistosoma mansoni immunophilin 0.0245 0.3378 1
Mycobacterium ulcerans extragenic suppressor protein SuhB 0.0045 0.0173 0.0511
Loa Loa (eye worm) hypothetical protein 0.0166 0.2114 0.2114
Loa Loa (eye worm) FKBP-type peptidyl-prolyl cis-trans isomerase-12 0.0245 0.3378 0.3378
Schistosoma mansoni hypothetical protein 0.0042 0.0126 0.0374
Giardia lamblia FKBP-type peptidyl-prolyl cis-trans isomerase 0.0245 0.3378 1
Mycobacterium tuberculosis Inositol-1-monophosphatase SuhB 0.004 0.0098 1
Onchocerca volvulus 0.0054 0.0327 0.1546
Schistosoma mansoni hypothetical protein 0.0042 0.0126 0.0374
Leishmania major peptidylprolyl isomerase-like protein 0.0245 0.3378 1
Echinococcus multilocularis Upstream activation factor subunit UAF30 0.0042 0.0126 0.0212

Activities

Activity type Activity value Assay description Source Reference
Potency (binding) 3.9811 uM PubChem BioAssay. qHTS Assay for Inhibitors of MBNL1-poly(CUG) RNA binding. (Class of assay: confirmatory) ChEMBL. No reference
Potency (functional) = 11.2202 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) = 11.2202 um PUBCHEM_BIOASSAY: qHTS Assay for Inhibitors of Influenza NS1 Protein Function. (Class of assay: confirmatory) ChEMBL. No reference
Potency (functional) = 15.8489 um PUBCHEM_BIOASSAY: qHTS Assay for Modulators of Lamin A Splicing. (Class of assay: confirmatory) ChEMBL. No reference
Potency (functional) 21.3313 uM PUBCHEM_BIOASSAY: qHTS profiling assay for firefly luciferase inhibitor/activator using purified enzyme and Km concentrations of substrates (counterscreen for miR-21 project). (Class of assay: confirmatory) [Related pubchem assays (depositor defined):AID2288, AID2289, AID2598, AID411] ChEMBL. No reference
Potency (functional) 25.929 uM PUBCHEM_BIOASSAY: qHTS screen for small molecules that inhibit ELG1-dependent DNA repair in human embryonic kidney (HEK293T) cells expressing luciferase-tagged ELG1. (Class of assay: confirmatory) [Related pubchem assays (depositor defined):AID493107, AID493125] ChEMBL. No reference
Potency (functional) 31.6228 uM PubChem BioAssay. qHTS for Antagonists 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 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) 75.6863 uM PubChem BioAssay. qHTS Assay to Find Inhibitors of Pin1. (Class of assay: confirmatory) 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

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

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

Annotated phenotypes:

We have no manually annotated phenotypes for this drug. What does this mean? / Care to help?
In TDR Targets, information about phenotypes that are caused by drugs, or by genetic manipulation of cells (e.g. gene knockouts or knockdowns) is manually curated from the literature. These descriptions help to describe the potential of the target for drug development. If no information is available for this gene or if the information is incomplete, this may mean that i) the papers containing this information either appeared after the curation effort for this organism was carried out or they were inadvertently missed by curators; or that ii) the curation effort for this organism has not yet started.
 
In any case, if you have information about papers containing relevant validation data for this target, please log in using your TDR Targets username and password and send them to us using the corresponding form in this page (only visible to registered users) or contact us.

External resources for this compound

Bibliographic References

No literature references available for this target.

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