Detailed information for compound 1307137

Basic information

Technical information
  • TDR Targets ID: 1307137
  • Name: 1-(4-ethylphenyl)-N-(4-methyl-3-morpholin-4-y lsulfonylphenyl)-5-oxopyrrolidine-3-carboxami de
  • MW: 471.569 | Formula: C24H29N3O5S
  • H donors: 1 H acceptors: 4 LogP: 1.77 Rotable bonds: 7
    Rule of 5 violations (Lipinski): 1
  • SMILES: CCc1ccc(cc1)N1CC(CC1=O)C(=O)Nc1ccc(c(c1)S(=O)(=O)N1CCOCC1)C
  • InChi: 1S/C24H29N3O5S/c1-3-18-5-8-21(9-6-18)27-16-19(14-23(27)28)24(29)25-20-7-4-17(2)22(15-20)33(30,31)26-10-12-32-13-11-26/h4-9,15,19H,3,10-14,16H2,1-2H3,(H,25,29)
  • InChiKey: QECMXCRSTCIXAS-UHFFFAOYSA-N  


Substructure search Similarity search

Network

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Synonyms

  • 1-(4-ethylphenyl)-N-(4-methyl-3-morpholinosulfonyl-phenyl)-5-oxo-pyrrolidine-3-carboxamide
  • 1-(4-ethylphenyl)-N-(4-methyl-3-morpholinosulfonylphenyl)-5-oxo-3-pyrrolidinecarboxamide
  • 1-(4-ethylphenyl)-5-keto-N-(4-methyl-3-morpholinosulfonyl-phenyl)pyrrolidine-3-carboxamide
  • 1-(4-ethylphenyl)-N-(4-methyl-3-morpholin-4-ylsulfonyl-phenyl)-5-oxo-pyrrolidine-3-carboxamide
  • MLS000572105
  • SMR000151077
  • T5327600

Targets

Known targets for this compound

Species Target name Source Bibliographic reference
Homo sapiens SMAD family member 2 Starlite/ChEMBL No references
Homo sapiens bromodomain adjacent to zinc finger domain, 2B Starlite/ChEMBL No references
Homo sapiens lamin A/C Starlite/ChEMBL No references
Equus caballus Ferritin light chain 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
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
Wolbachia endosymbiont of Brugia malayi fructose-1,6-bisphosphatase 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
Trypanosoma brucei gambiense inositol-1(or 4)-monophosphatase 1, putative Get druggable targets OG5_126810 All targets in OG5_126810
Schistosoma mansoni inositol monophosphatase Get druggable targets OG5_126810 All targets in OG5_126810
Brugia malayi Bromodomain containing protein Get druggable targets OG5_131570 All targets in OG5_131570
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
Schistosoma japonicum Intermediate filament protein ifa-1, putative Get druggable targets OG5_128723 All targets in OG5_128723
Schistosoma mansoni intermediate filament proteins Get druggable targets OG5_128723 All targets in OG5_128723
Mycobacterium leprae possible inositol monophosphatase SubH (IMPase) (inositol-1-phosphatase) (I-1-Pase ). Get druggable targets OG5_126810 All targets in OG5_126810
Leishmania major myo-inositol-1(or 4)-monophosphatase 1, putative 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
Schistosoma japonicum Lamin-C, putative Get druggable targets OG5_128723 All targets in OG5_128723
Loa Loa (eye worm) hypothetical protein Get druggable targets OG5_131570 All targets in OG5_131570
Loa Loa (eye worm) hypothetical protein Get druggable targets OG5_128723 All targets in OG5_128723
Loa Loa (eye worm) transcription factor SMAD2 Get druggable targets OG5_131716 All targets in OG5_131716
Echinococcus multilocularis lamin Get druggable targets OG5_128723 All targets in OG5_128723
Onchocerca volvulus Get druggable targets OG5_128723 All targets in OG5_128723
Schistosoma japonicum expressed protein Get druggable targets OG5_131570 All targets in OG5_131570
Echinococcus multilocularis cytoplasmic intermediate filament protein Get druggable targets OG5_128723 All targets in OG5_128723
Schistosoma japonicum hypothetical protein Get druggable targets OG5_131570 All targets in OG5_131570
Echinococcus granulosus bromodomain adjacent to zinc finger domain Get druggable targets OG5_131570 All targets in OG5_131570
Neospora caninum hypothetical protein Get druggable targets OG5_126810 All targets in OG5_126810
Schistosoma japonicum Conserved hypothetical protein Get druggable targets OG5_131570 All targets in OG5_131570
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
Loa Loa (eye worm) MH2 domain-containing protein Get druggable targets OG5_131716 All targets in OG5_131716
Leishmania braziliensis myo-inositol-1(or 4)-monophosphatase 1, putative Get druggable targets OG5_126810 All targets in OG5_126810
Echinococcus granulosus lamin Get druggable targets OG5_128723 All targets in OG5_128723
Schistosoma japonicum ko:K01549 ATP synthase [EC3.6.3.14], putative Get druggable targets OG5_131570 All targets in OG5_131570
Trichomonas vaginalis myo inositol monophosphatase, putative 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
Mycobacterium ulcerans extragenic suppressor protein SuhB 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
Echinococcus multilocularis musashi Get druggable targets OG5_128723 All targets in OG5_128723
Schistosoma mansoni bromodomain containing protein Get druggable targets OG5_131570 All targets in OG5_131570
Loa Loa (eye worm) hypothetical protein Get druggable targets OG5_128723 All targets in OG5_128723
Schistosoma mansoni lamin Get druggable targets OG5_128723 All targets in OG5_128723
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
Loa Loa (eye worm) hypothetical protein Get druggable targets OG5_128723 All targets in OG5_128723
Entamoeba histolytica myo-inositol monophosphatase, putative Get druggable targets OG5_126810 All targets in OG5_126810
Schistosoma mansoni lamin Get druggable targets OG5_128723 All targets in OG5_128723
Loa Loa (eye worm) hypothetical protein Get druggable targets OG5_131570 All targets in OG5_131570
Echinococcus granulosus cytoplasmic 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
Trypanosoma congolense inositol-1(or 4)-monophosphatase 1, putative Get druggable targets OG5_126810 All targets in OG5_126810
Trypanosoma brucei 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
Toxoplasma gondii inositol(myo)-1(or 4)-monophosphatase 2, putative Get druggable targets OG5_126810 All targets in OG5_126810
Loa Loa (eye worm) hypothetical protein Get druggable targets OG5_131570 All targets in OG5_131570
Echinococcus granulosus lamin dm0 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) inositol-1 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
Brugia malayi Inositol-1 Get druggable targets OG5_126810 All targets in OG5_126810
Echinococcus multilocularis bromodomain adjacent to zinc finger domain Get druggable targets OG5_131570 All targets in OG5_131570
Brugia malayi Intermediate filament tail domain containing protein 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 inositol monophosphatase Get druggable targets OG5_126810 All targets in OG5_126810
Loa Loa (eye worm) intermediate filament tail domain-containing protein Get druggable targets OG5_128723 All targets in OG5_128723
Trypanosoma cruzi myo-inositol-1(or 4)-monophosphatase 1, putative Get druggable targets OG5_126810 All targets in OG5_126810
Loa Loa (eye worm) intermediate filament protein Get druggable targets OG5_128723 All targets in OG5_128723
Loa Loa (eye worm) hypothetical protein Get druggable targets OG5_131570 All targets in OG5_131570
Brugia malayi MH2 domain containing protein Get druggable targets OG5_131716 All targets in OG5_131716
Echinococcus multilocularis lamin dm0 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 japonicum Cleft lip and palate transmembrane protein 1-like protein, putative Get druggable targets OG5_131570 All targets in OG5_131570
Schistosoma japonicum ko:K07611 lamin, putative 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
Loa Loa (eye worm) hypothetical protein Inositol monophosphatase 1   277 aa 298 aa 23.8 %
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 %
Trichomonas vaginalis myo inositol monophosphatase, putative Inositol monophosphatase 1   277 aa 276 aa 21.4 %
Echinococcus multilocularis expressed protein Ferritin light chain   175 aa 146 aa 30.1 %
Dictyostelium discoideum 3',5'-bisphosphate nucleotidase Inositol monophosphatase 1   277 aa 230 aa 25.2 %
Entamoeba histolytica 3(2),5-bisphosphate nucleotidase, putative Inositol monophosphatase 1   277 aa 263 aa 24.0 %
Onchocerca volvulus Putative trans-2-enoyl-CoA reductase 1, mitochondrial Inositol monophosphatase 1   277 aa 278 aa 23.0 %
Trypanosoma cruzi myo-inositol-1 phosphatase, putative Inositol monophosphatase 1   277 aa 284 aa 30.6 %
Trichomonas vaginalis inositol monophosphatase, putative Inositol monophosphatase 1   277 aa 268 aa 22.4 %
Trichomonas vaginalis diphosphonucleoside phosphohydrolase, putative Inositol monophosphatase 1   277 aa 263 aa 21.7 %
Schistosoma mansoni ferritin Ferritin light chain   175 aa 171 aa 44.4 %
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 %
Brugia malayi MH2 domain containing protein SMAD family member 2 467 aa 405 aa 31.6 %
Schistosoma mansoni apoferritin-2 Ferritin light chain   175 aa 146 aa 28.8 %
Echinococcus granulosus expressed protein Ferritin light chain   175 aa 146 aa 28.8 %
Trypanosoma congolense inositol-1(or 4)-monophosphatase, putative Inositol monophosphatase 1   277 aa 304 aa 28.9 %
Onchocerca volvulus Putative 28S ribosomal protein S10, mitochondrial Inositol monophosphatase 1   277 aa 271 aa 46.1 %
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 %
Schistosoma mansoni ferritin Ferritin light chain   175 aa 171 aa 43.9 %
Entamoeba histolytica 3(2),5-bisphosphate nucleotidase, putative Inositol monophosphatase 1   277 aa 287 aa 22.3 %
Trypanosoma brucei gambiense inositol-1(or 4)-monophosphatase, putative Inositol monophosphatase 1   277 aa 309 aa 27.8 %
Dictyostelium discoideum 3',5'-bisphosphate nucleotidase 1 Inositol monophosphatase 1   277 aa 275 aa 22.2 %
Trichomonas vaginalis inositol monophosphatase, putative Inositol monophosphatase 1   277 aa 258 aa 21.7 %
Trypanosoma brucei inositol-1(or 4)-monophosphatase, putative Inositol monophosphatase 1   277 aa 304 aa 27.3 %
Brugia malayi Inositol monophosphatase family protein Inositol monophosphatase 1   277 aa 238 aa 21.8 %
Schistosoma mansoni apoferritin-2 Ferritin light chain   175 aa 142 aa 29.6 %
Trypanosoma cruzi inositol polyphosphate 1-phosphatase, putative Inositol monophosphatase 1   277 aa 291 aa 23.7 %
Onchocerca volvulus Inositol monophosphatase 1   277 aa 238 aa 22.7 %
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 %
Schistosoma japonicum Ferritin, putative Ferritin light chain   175 aa 144 aa 24.3 %
Obtained from network model

Ranking Plot

Putative Targets List

Species Potential target Raw Global Species
Loa Loa (eye worm) hypothetical protein 0.0032 0.0951 0.0951
Brugia malayi TAR-binding protein 0.0061 0.2882 0.2882
Brugia malayi RNA recognition motif domain containing protein 0.0061 0.2882 0.2882
Schistosoma mansoni intermediate filament proteins 0.0033 0.099 0.0929
Brugia malayi MH2 domain containing protein 0.0144 0.8294 0.8294
Schistosoma mansoni hypothetical protein 0.0025 0.0489 0.0425
Schistosoma mansoni inositol monophosphatase 0.0045 0.1778 0.1722
Trypanosoma cruzi dipeptidyl-peptidase 8-like serine peptidase 0.0057 0.2604 1
Loa Loa (eye worm) hypothetical protein 0.0046 0.1891 0.1891
Brugia malayi hypothetical protein 0.0044 0.1721 0.1721
Echinococcus granulosus intermediate filament protein 0.0033 0.099 0.08
Schistosoma mansoni methyl-cpg binding protein mbd 0.0021 0.0206 0.014
Echinococcus multilocularis geminin 0.0164 0.9621 0.9613
Brugia malayi RNA binding protein 0.0061 0.2882 0.2882
Mycobacterium tuberculosis Inositol-1-monophosphatase SuhB 0.004 0.1472 0.5
Echinococcus multilocularis lamin 0.0033 0.099 0.08
Schistosoma mansoni histone-lysine n-methyltransferase setb1 0.0021 0.0206 0.014
Schistosoma mansoni subfamily S9B unassigned peptidase (S09 family) 0.017 1 1
Loa Loa (eye worm) transcription factor SMAD2 0.0144 0.8294 0.8294
Echinococcus granulosus lamin 0.0033 0.099 0.08
Echinococcus granulosus tar DNA binding protein 0.0061 0.2882 0.2732
Echinococcus granulosus Dipeptidyl peptidase 9 0.0057 0.2604 0.2449
Loa Loa (eye worm) prolyl oligopeptidase 0.017 1 1
Echinococcus multilocularis Dipeptidyl peptidase 9 0.0057 0.2604 0.2449
Brugia malayi Inositol-1 0.0045 0.1778 0.1778
Loa Loa (eye worm) PHD-finger family protein 0.0025 0.0489 0.0489
Echinococcus granulosus zinc finger protein 0.0024 0.0405 0.0204
Trichomonas vaginalis inositol monophosphatase, putative 0.0045 0.1778 0.5
Trypanosoma brucei Dipeptidyl-peptidase 8-like, putative 0.0057 0.2604 1
Loa Loa (eye worm) hypothetical protein 0.0021 0.0206 0.0206
Schistosoma mansoni zinc finger protein 0.0024 0.0405 0.034
Brugia malayi Bromodomain containing protein 0.0046 0.1885 0.1885
Echinococcus granulosus bromodomain adjacent to zinc finger domain 0.0072 0.3577 0.3442
Trypanosoma brucei inositol-1(or 4)-monophosphatase 1, putative 0.0045 0.1778 0.6742
Mycobacterium ulcerans extragenic suppressor protein SuhB 0.0045 0.1778 0.5
Brugia malayi Intermediate filament tail domain containing protein 0.0033 0.099 0.099
Loa Loa (eye worm) RNA recognition domain-containing protein domain-containing protein 0.0061 0.2882 0.2882
Leishmania major dipeptidyl-peptidase 8-like serine peptidase, putative,serine peptidase, Clan SC, Family S9B 0.0057 0.2604 1
Echinococcus granulosus dipeptidyl aminopeptidaseprotein 0.017 1 1
Loa Loa (eye worm) hypothetical protein 0.0044 0.1721 0.1721
Trypanosoma cruzi myo-inositol-1(or 4)-monophosphatase 1, putative 0.0045 0.1778 0.6742
Schistosoma mansoni hypothetical protein 0.0164 0.9621 0.9618
Echinococcus multilocularis dipeptidyl aminopeptidaseprotein 0.017 1 1
Schistosoma mansoni tar DNA-binding protein 0.0061 0.2882 0.2833
Loa Loa (eye worm) inositol-1 0.0045 0.1778 0.1778
Brugia malayi intermediate filament protein 0.0033 0.099 0.099
Echinococcus multilocularis fetal alzheimer antigen, falz 0.0027 0.064 0.0443
Toxoplasma gondii dipeptidyl peptidase iv (dpp iv) n-terminal region domain-containing protein 0.0057 0.2604 1
Echinococcus multilocularis lamin dm0 0.0033 0.099 0.08
Loa Loa (eye worm) hypothetical protein 0.0085 0.4448 0.4448
Echinococcus multilocularis musashi 0.0033 0.099 0.08
Trypanosoma cruzi myo-inositol-1(or 4)-monophosphatase 1, putative 0.0045 0.1778 0.6742
Echinococcus granulosus inositol monophosphatase 1 0.0045 0.1778 0.1605
Loa Loa (eye worm) intermediate filament tail domain-containing protein 0.0033 0.099 0.099
Mycobacterium leprae possible inositol monophosphatase SubH (IMPase) (inositol-1-phosphatase) (I-1-Pase ). 0.004 0.1472 0.5
Brugia malayi PHD-finger family protein 0.003 0.0827 0.0827
Echinococcus multilocularis tar DNA binding protein 0.0061 0.2882 0.2732
Brugia malayi Bromodomain containing protein 0.0091 0.4786 0.4786
Loa Loa (eye worm) hypothetical protein 0.0049 0.2078 0.2078
Loa Loa (eye worm) intermediate filament protein 0.0033 0.099 0.099
Echinococcus multilocularis inositol monophosphatase 1 0.0045 0.1778 0.1605
Echinococcus multilocularis bromodomain adjacent to zinc finger domain 0.0043 0.1698 0.1524
Trypanosoma brucei serine peptidase, Clan SC, Family S9B 0.0057 0.2604 1
Brugia malayi prolyl oligopeptidase family protein 0.0057 0.2604 0.2604
Loa Loa (eye worm) MH2 domain-containing protein 0.0144 0.8294 0.8294
Schistosoma mansoni tar DNA-binding protein 0.0061 0.2882 0.2833
Schistosoma mansoni tar DNA-binding protein 0.0061 0.2882 0.2833
Onchocerca volvulus Dipeptidyl peptidase family member 1 homolog 0.017 1 1
Loa Loa (eye worm) TAR-binding protein 0.0061 0.2882 0.2882
Leishmania major myo-inositol-1(or 4)-monophosphatase 1, putative 0.0045 0.1778 0.6742
Echinococcus granulosus bromodomain adjacent to zinc finger domain 0.0043 0.1698 0.1524
Trichomonas vaginalis myo inositol monophosphatase, putative 0.0045 0.1778 0.5
Loa Loa (eye worm) hypothetical protein 0.0052 0.2229 0.2229
Echinococcus multilocularis zinc finger protein 0.0024 0.0405 0.0204
Echinococcus granulosus geminin 0.0164 0.9621 0.9613
Trichomonas vaginalis myo inositol monophosphatase, putative 0.0045 0.1778 0.5
Echinococcus multilocularis bromodomain adjacent to zinc finger domain 0.0072 0.3577 0.3442
Entamoeba histolytica myo-inositol monophosphatase, putative 0.0045 0.1778 0.5
Echinococcus granulosus lamin dm0 0.0033 0.099 0.08
Schistosoma mansoni acetyl-CoA C-acetyltransferase 0.0027 0.064 0.0577
Schistosoma mansoni tar DNA-binding protein 0.0061 0.2882 0.2833
Schistosoma mansoni tar DNA-binding protein 0.0061 0.2882 0.2833
Schistosoma mansoni inositol monophosphatase 0.0045 0.1778 0.1722
Loa Loa (eye worm) bromodomain containing protein 0.0021 0.0254 0.0254
Echinococcus granulosus fetal alzheimer antigen falz 0.0027 0.064 0.0443
Trypanosoma cruzi serine peptidase, Clan SC, Family S9B 0.0057 0.2604 1
Loa Loa (eye worm) RNA binding protein 0.0061 0.2882 0.2882
Schistosoma mansoni lamin 0.0033 0.099 0.0929
Schistosoma mansoni lamin 0.0033 0.099 0.0929
Schistosoma mansoni histone-lysine n-methyltransferase setb1 0.0021 0.0206 0.014
Schistosoma mansoni hypothetical protein 0.0164 0.9621 0.9618
Schistosoma mansoni dipeptidyl-peptidase 9 (S09 family) 0.0057 0.2604 0.2554
Loa Loa (eye worm) hypothetical protein 0.0033 0.099 0.099
Schistosoma mansoni bromodomain containing protein 0.0076 0.386 0.3818
Wolbachia endosymbiont of Brugia malayi fructose-1,6-bisphosphatase 0.0045 0.1778 0.5
Schistosoma mansoni methyl-cpg binding protein mbd 0.0021 0.0206 0.014

Activities

Activity type Activity value Assay description Source Reference
Potency (functional) 0.7079 uM PUBCHEM_BIOASSAY: qHTS Assay for Inhibitors of BAZ2B. (Class of assay: confirmatory) [Related pubchem assays (depositor defined):AID504391] ChEMBL. No reference
Potency (binding) = 2.8184 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) = 3.9811 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) 7.9433 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) = 15.8489 um PUBCHEM_BIOASSAY: qHTS Assay for Modulators of Lamin A Splicing. (Class of assay: confirmatory) ChEMBL. No reference
Potency (functional) 20.5962 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) = 25.1189 um PUBCHEM_BIOASSAY: Counterscreen qHTS for Inhibitors of Tau Fibril Formation, Fluorescence Polarization. This assay monitors tau fibrillation by fluorescence polarization (FP) of Alexa 594-labeled K18 P301L, which does not fibrillize readily but incorporates into growing filaments of unlabeled tau. (Class of assay: confirmatory) [Related pubchem assays: 596 ] ChEMBL. No reference
Potency (functional) = 25.1189 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) 29.0929 uM PUBCHEM_BIOASSAY: Nrf2 qHTS screen for inhibitors. (Class of assay: confirmatory) [Related pubchem assays (depositor defined):AID493153, AID493163, AID504648] ChEMBL. No reference
Potency (functional) 31.6228 uM PUBCHEM_BIOASSAY: qHTS for Inhibitors of Vif-A3F Interactions: qHTS. (Class of assay: confirmatory) ChEMBL. No reference
Potency (functional) = 35.4813 um PUBCHEM_BIOASSAY: qHTS Multiplex Assay to Identify Dual Action Probes in a Cell Model of Huntington: Aggregate Formation (GFP). (Class of assay: confirmatory) [Related pubchem assays: 1482, 1471 ] ChEMBL. No reference
Potency (functional) = 39.8107 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) 89.1251 uM PubChem BioAssay. Inhibitors of Secretory Acid Sphingomyelinase (S-ASM): qHTS. (Class of assay: confirmatory) 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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