Detailed information for compound 1235733

Basic information

Technical information
  • TDR Targets ID: 1235733
  • Name: N-[2-[[2-(tert-butylamino)-2-oxoethyl]-(2,4,6 -trimethylphenyl)amino]-2-oxoethyl]thiophene- 2-carboxamide
  • MW: 415.549 | Formula: C22H29N3O3S
  • H donors: 2 H acceptors: 3 LogP: 3.72 Rotable bonds: 10
    Rule of 5 violations (Lipinski): 1
  • SMILES: O=C(NC(C)(C)C)CN(c1c(C)cc(cc1C)C)C(=O)CNC(=O)c1cccs1
  • InChi: 1S/C22H29N3O3S/c1-14-10-15(2)20(16(3)11-14)25(13-18(26)24-22(4,5)6)19(27)12-23-21(28)17-8-7-9-29-17/h7-11H,12-13H2,1-6H3,(H,23,28)(H,24,26)
  • InChiKey: QHVDGHWNXQSHTG-UHFFFAOYSA-N  


Substructure search Similarity search

Network

Hover on a compound node to display the structore

Synonyms

  • N-[2-[[2-(tert-butylamino)-2-oxo-ethyl]-(2,4,6-trimethylphenyl)amino]-2-oxo-ethyl]thiophene-2-carboxamide
  • N-[2-[[2-(tert-butylamino)-2-oxoethyl]-(2,4,6-trimethylphenyl)amino]-2-oxoethyl]-2-thiophenecarboxamide
  • N-[2-[[2-(tert-butylamino)-2-keto-ethyl]-(2,4,6-trimethylphenyl)amino]-2-keto-ethyl]thiophene-2-carboxamide
  • ASN 05990102
  • MLS000677985
  • SMR000286017
  • ZINC04861371

Targets

Known targets for this compound

Species Target name Source Bibliographic reference
Homo sapiens nuclear factor, erythroid 2-like 2 Starlite/ChEMBL No references

Predicted pathogen targets for this compound

By orthology
No druggable targets predicted by orthology data
By sequence similarity to non orthologous known druggable targets
No druggable targets predicted by sequence similarity
Obtained from network model

Ranking Plot

Putative Targets List

Species Potential target Raw Global Species
Trypanosoma brucei mitochondrial DNA polymerase beta-PAK 0.0134 0.3276 0.449
Trypanosoma brucei DNA polymerase kappa, putative 0.0018 0.0151 0.0207
Echinococcus multilocularis ubiquitin specific protease 41 0.0038 0.0683 0.0601
Schistosoma mansoni tar DNA-binding protein 0.0136 0.3327 0.3225
Echinococcus granulosus 5'partial|histone lysine N methyltransferase SETDB2 0.003 0.0476 0.0393
Onchocerca volvulus 0.0034 0.0574 0.0836
Schistosoma mansoni alpha-glucosidase 0.0147 0.3628 0.353
Loa Loa (eye worm) hypothetical protein 0.0073 0.1642 0.2896
Echinococcus granulosus cpg binding protein 0.0028 0.0431 0.0347
Echinococcus multilocularis lamin 0.0033 0.0541 0.0458
Brugia malayi Pre-SET motif family protein 0.0219 0.5563 1
Trypanosoma cruzi DNA polymerase beta thumb, putative 0.004 0.0737 0.0955
Trichomonas vaginalis Clan CA, family C19, ubiquitin hydrolase-like cysteine peptidase 0.0038 0.0683 0.1008
Echinococcus multilocularis dna polymerase eta 0.0018 0.0151 0.0065
Brugia malayi calcium-independent alpha-latrotoxin receptor 2, putative 0.0034 0.058 0.097
Echinococcus multilocularis histone lysine methyltransferase setb histone lysine methyltransferase eggless 0.0032 0.0523 0.044
Trichomonas vaginalis penicillin-binding protein, putative 0.0034 0.0574 0.0836
Schistosoma mansoni tar DNA-binding protein 0.0136 0.3327 0.3225
Mycobacterium ulcerans beta-lactamase 0.0034 0.0574 0.1195
Loa Loa (eye worm) hypothetical protein 0.0107 0.2558 0.4555
Trichomonas vaginalis set domain proteins, putative 0.0249 0.6376 1
Loa Loa (eye worm) hypothetical protein 0.0166 0.4146 0.7433
Schistosoma mansoni cpg binding protein 0.0028 0.0431 0.0284
Mycobacterium tuberculosis Probable esterase LipL 0.0034 0.0574 0.0793
Trichomonas vaginalis alpha-glucosidase, putative 0.0038 0.0686 0.1013
Schistosoma mansoni family S12 unassigned peptidase (S12 family) 0.0034 0.0574 0.0429
Echinococcus multilocularis terminal deoxycytidyl transferase rev1 0.0018 0.0151 0.0065
Trichomonas vaginalis conserved hypothetical protein 0.0038 0.0683 0.1008
Echinococcus multilocularis lamin dm0 0.0033 0.0541 0.0458
Echinococcus multilocularis lysosomal alpha glucosidase 0.0171 0.4269 0.4219
Mycobacterium tuberculosis Probable lipase LipE 0.0034 0.0574 0.0793
Mycobacterium ulcerans fusion of enoyl-CoA hydratase, EchA21 and lipase, LipE 0.0034 0.0574 0.1195
Loa Loa (eye worm) hypothetical protein 0.0016 0.0087 0.0078
Trypanosoma cruzi mitochondrial DNA polymerase beta-PAK, putative 0.0049 0.0972 0.1279
Loa Loa (eye worm) hypothetical protein 0.0034 0.058 0.097
Mycobacterium ulcerans esterase/lipase LipP 0.0034 0.0574 0.1195
Echinococcus multilocularis diuretic hormone 44 receptor GPRdih2 0.0034 0.058 0.0497
Trypanosoma brucei DNA polymerase beta thumb, putative 0.004 0.0737 0.101
Echinococcus multilocularis cadherin EGF LAG seven pass G type receptor 0.0034 0.058 0.0497
Echinococcus multilocularis neutral alpha glucosidase AB 0.0038 0.0686 0.0604
Leishmania major alpha glucosidase II subunit, putative 0.0038 0.0686 0.0884
Trypanosoma brucei DNA polymerase kappa, putative 0.0018 0.0151 0.0207
Echinococcus granulosus histone lysine methyltransferase setb 0.0032 0.0523 0.044
Onchocerca volvulus 0.0034 0.0574 0.0836
Loa Loa (eye worm) RNA recognition domain-containing protein domain-containing protein 0.0136 0.3327 0.5949
Trypanosoma brucei DNA polymerase IV, putative 0.0018 0.0151 0.0207
Giardia lamblia Ubiquitin carboxyl-terminal hydrolase 4 0.0038 0.0683 1
Leishmania major DNA polymerase eta, putative 0.0018 0.0151 0.0148
Echinococcus granulosus guanine nucleotide binding protein Gs subunit 0.0146 0.3589 0.3533
Leishmania major mitochondrial DNA polymerase beta 0.0283 0.7296 1
Schistosoma mansoni cpg binding protein 0.0027 0.0389 0.0242
Leishmania major ubiquitin hydrolase, putative,cysteine peptidase, Clan CA, family C19, putative 0.0038 0.0683 0.088
Trypanosoma cruzi DNA polymerase kappa, putative 0.0018 0.0151 0.0148
Trichomonas vaginalis neutral alpha-glucosidase ab precursor, putative 0.0038 0.0686 0.1013
Trypanosoma cruzi hypothetical protein, conserved 0.0038 0.0686 0.0884
Echinococcus granulosus Basic leucine zipper bZIP transcription 0.0043 0.0835 0.0754
Schistosoma mansoni tar DNA-binding protein 0.0136 0.3327 0.3225
Trypanosoma brucei glycosyl hydrolase-like protein 0.0014 0.0044 0.0061
Schistosoma mansoni Guanine nucleotide-binding protein G(s) subunit alpha (Adenylate cyclase-stimulating G alpha protein) 0.0146 0.3589 0.3491
Loa Loa (eye worm) hypothetical protein 0.0034 0.0574 0.0959
Trypanosoma cruzi mitochondrial DNA polymerase beta-PAK, putative 0.0134 0.3276 0.4456
Mycobacterium tuberculosis Conserved protein 0.0034 0.0574 0.0793
Loa Loa (eye worm) glycosyl hydrolase family 31 protein 0.0038 0.0686 0.1162
Echinococcus granulosus ubiquitin specific protease 41 0.0038 0.0683 0.0601
Toxoplasma gondii histone lysine methyltransferase SET1 0.0052 0.107 1
Brugia malayi GTP-binding regulatory protein Gs alpha-S chain, putative 0.0146 0.3589 0.6423
Loa Loa (eye worm) hypothetical protein 0.0034 0.0574 0.0959
Mycobacterium tuberculosis Conserved protein 0.0034 0.0574 0.0793
Echinococcus granulosus guanine nucleotide binding protein Gs subunit 0.0146 0.3589 0.3533
Loa Loa (eye worm) beta-lactamase 0.0034 0.0574 0.0959
Schistosoma mansoni Guanine nucleotide-binding protein G(s) subunit alpha (Adenylate cyclase-stimulating G alpha protein) 0.0146 0.3589 0.3491
Trypanosoma cruzi DNA polymerase kappa, putative 0.0018 0.0151 0.0148
Leishmania major DNA polymerase kappa, putative,DNA polymerase IV, putative 0.0018 0.0151 0.0148
Echinococcus granulosus neutral alpha glucosidase AB 0.0038 0.0686 0.0604
Echinococcus granulosus Peptidase C19 ubiquitin carboxyl terminal hydrolase 2 0.0038 0.0683 0.0601
Trichomonas vaginalis alpha-glucosidase, putative 0.0038 0.0686 0.1013
Loa Loa (eye worm) beta-LACTamase domain containing family member 0.0034 0.0574 0.0959
Entamoeba histolytica hypothetical protein 0.0043 0.0835 1
Schistosoma mansoni family S12 unassigned peptidase (S12 family) 0.0034 0.0574 0.0429
Loa Loa (eye worm) hypothetical protein 0.0034 0.0574 0.0959
Echinococcus granulosus beta LACTamase domain containing family member 0.0034 0.0574 0.0491
Trypanosoma brucei mitochondrial DNA polymerase beta 0.0283 0.7296 1
Loa Loa (eye worm) hypothetical protein 0.0033 0.0541 0.0901
Mycobacterium ulcerans lipase LipD 0.0034 0.0574 0.1195
Leishmania major hypothetical protein, conserved 0.0034 0.0574 0.073
Echinococcus multilocularis beta LACTamase domain containing family member 0.0034 0.0574 0.0491
Brugia malayi Glycosyl hydrolases family 31 protein 0.0171 0.4269 0.7656
Echinococcus granulosus lamin 0.0033 0.0541 0.0458
Schistosoma mansoni lamin 0.0033 0.0541 0.0396
Loa Loa (eye worm) hypothetical protein 0.0034 0.0574 0.0959
Trypanosoma cruzi mitochondrial DNA polymerase beta, putative 0.0283 0.7296 1
Trypanosoma cruzi DNA polymerase kappa, putative 0.0018 0.0151 0.0148
Echinococcus multilocularis Basic leucine zipper (bZIP) transcription 0.0043 0.0835 0.0754
Schistosoma mansoni histone-lysine n-methyltransferase suv9 0.0032 0.0523 0.0378
Leishmania major mitochondrial DNA polymerase beta-PAK, putative 0.0134 0.3276 0.4456
Trichomonas vaginalis conserved hypothetical protein 0.0162 0.4023 0.6285
Trypanosoma cruzi hypothetical protein, conserved 0.0034 0.0574 0.073
Trypanosoma brucei DNA polymerase kappa, putative 0.0018 0.0151 0.0207
Trypanosoma cruzi mitochondrial DNA polymerase beta-PAK, putative 0.004 0.0737 0.0955
Echinococcus granulosus intermediate filament protein 0.0033 0.0541 0.0458
Mycobacterium leprae conserved hypothetical protein 0.0034 0.0574 0.5
Mycobacterium tuberculosis Possible penicillin-binding protein 0.0216 0.5477 1
Echinococcus multilocularis guanine nucleotide binding protein G(s) subunit 0.0146 0.3589 0.3533
Mycobacterium ulcerans hypothetical protein 0.0034 0.0574 0.1195
Mycobacterium leprae Probable lipase LipE 0.0034 0.0574 0.5
Schistosoma mansoni ubiquitin-specific peptidase 8 (C19 family) 0.0038 0.0683 0.0539
Trypanosoma cruzi ubiquitin carboxyl-terminal hydrolase, putative 0.0038 0.0683 0.088
Trichomonas vaginalis maltase-glucoamylase, putative 0.0038 0.0686 0.1013
Onchocerca volvulus 0.0027 0.0389 0.0545
Loa Loa (eye worm) hypothetical protein 0.0018 0.0151 0.0194
Toxoplasma gondii glycosyl hydrolase, family 31 protein 0.0038 0.0686 0.297
Onchocerca volvulus 0.0034 0.0574 0.0836
Echinococcus multilocularis guanine nucleotide binding protein G(s) subunit 0.0146 0.3589 0.3533
Trichomonas vaginalis esterase, putative 0.0034 0.0574 0.0836
Schistosoma mansoni hypothetical protein 0.017 0.4253 0.4165
Echinococcus granulosus lamin dm0 0.0033 0.0541 0.0458
Trypanosoma cruzi ubiquitin carboxyl-terminal hydrolase, putative 0.0038 0.0683 0.088
Loa Loa (eye worm) hypothetical protein 0.0032 0.0523 0.0868
Echinococcus multilocularis dnaJ subfamily B 0.0384 1 1
Brugia malayi ImpB/MucB/SamB family protein 0.0018 0.0151 0.0194
Echinococcus granulosus terminal deoxycytidyl transferase rev1 0.0018 0.0151 0.0065
Echinococcus multilocularis geminin 0.017 0.4253 0.4202
Trichomonas vaginalis DNA polymerase IV / kappa, putative 0.0018 0.0151 0.0169
Loa Loa (eye worm) intermediate filament tail domain-containing protein 0.0033 0.0541 0.0901
Echinococcus granulosus ubiquitin carboxyl terminal hydrolase 8 0.0038 0.0683 0.0601
Loa Loa (eye worm) latrophilin receptor protein 2 0.0034 0.058 0.097
Trichomonas vaginalis D-aminoacylase, putative 0.0034 0.0574 0.0836
Echinococcus multilocularis dna polymerase kappa 0.0018 0.0151 0.0065
Trichomonas vaginalis alpha-glucosidase, putative 0.0038 0.0686 0.1013
Schistosoma mansoni hypothetical protein 0.0034 0.058 0.0435
Loa Loa (eye worm) GTP-binding regulatory protein Gs alpha-S chain 0.0146 0.3589 0.6423
Trypanosoma cruzi DNA polymerase eta, putative 0.0018 0.0151 0.0148
Mycobacterium tuberculosis Probable lipase LipD 0.0034 0.0574 0.0793
Echinococcus multilocularis musashi 0.0033 0.0541 0.0458
Schistosoma mansoni alpha-glucosidase 0.0147 0.3628 0.353
Loa Loa (eye worm) hypothetical protein 0.0015 0.0071 0.0049
Brugia malayi beta-lactamase family protein 0.0034 0.0574 0.0959
Toxoplasma gondii hypothetical protein 0.0046 0.0895 0.6796
Schistosoma mansoni hypothetical protein 0.0043 0.0835 0.0694
Trichomonas vaginalis alpha-glucosidase, putative 0.0038 0.0686 0.1013
Loa Loa (eye worm) cytoplasmic intermediate filament protein 0.0017 0.0134 0.0162
Mycobacterium tuberculosis Probable hydrolase 0.0034 0.0574 0.0793
Trypanosoma brucei DNA polymerase eta, putative 0.0018 0.0151 0.0207
Toxoplasma gondii ABC1 family protein 0.0034 0.0574 0.0918
Loa Loa (eye worm) hypothetical protein 0.0015 0.0071 0.0049
Schistosoma mansoni cpg binding protein 0.0028 0.0431 0.0284
Trypanosoma brucei DNA polymerase kappa, putative 0.0018 0.0151 0.0207
Mycobacterium ulcerans hypothetical protein 0.0149 0.3684 1
Loa Loa (eye worm) TAR-binding protein 0.0136 0.3327 0.5949
Entamoeba histolytica hypothetical protein 0.0043 0.0835 1
Loa Loa (eye worm) hypothetical protein 0.0034 0.0574 0.0959
Brugia malayi Voltage-gated calcium channel, T-type, alpha subunit. C. elegans cca-1 ortholog 0.0166 0.4146 0.7433
Entamoeba histolytica glycosyl hydrolase, family 31 protein 0.0038 0.0686 0.8116
Trypanosoma brucei hypothetical protein, conserved 0.0034 0.0574 0.0786
Loa Loa (eye worm) glycosyl hydrolase family 31 protein 0.0171 0.4269 0.7656
Echinococcus multilocularis histone lysine N methyltransferase SETMAR 0.0032 0.0523 0.044
Schistosoma mansoni hypothetical protein 0.0384 1 1
Brugia malayi latrophilin 2 splice variant baaae 0.0073 0.1642 0.2896
Trypanosoma brucei unspecified product 0.0018 0.0151 0.0207
Schistosoma mansoni histone-lysine n-methyltransferase setb1 0.0032 0.0523 0.0378
Trypanosoma brucei ubiquitin carboxyl-terminal hydrolase, putative 0.0038 0.0683 0.0936
Echinococcus granulosus dna polymerase kappa 0.0018 0.0151 0.0065
Echinococcus granulosus geminin 0.017 0.4253 0.4202
Entamoeba histolytica ubiquitin carboxyl-terminal hydrolase domain containing protein 0.0038 0.0683 0.8078
Schistosoma mansoni transcription factor LCR-F1 0.0043 0.0835 0.0694
Echinococcus multilocularis tar DNA binding protein 0.0136 0.3327 0.3268
Brugia malayi Pre-SET motif family protein 0.0032 0.0523 0.0868
Brugia malayi Latrophilin receptor protein 2 0.0034 0.058 0.097
Loa Loa (eye worm) intermediate filament protein 0.0033 0.0541 0.0901
Schistosoma mansoni alpha glucosidase 0.0038 0.0686 0.0543
Leishmania major DNA polymerase kappa, putative 0.0018 0.0151 0.0148
Schistosoma mansoni ubiquitin-specific peptidase 2 (C19 family) 0.0038 0.0683 0.0539
Loa Loa (eye worm) hypothetical protein 0.0034 0.0574 0.0959
Loa Loa (eye worm) hypothetical protein 0.0038 0.0683 0.1157
Brugia malayi CXXC zinc finger family protein 0.0027 0.0389 0.0625
Trichomonas vaginalis D-aminoacylase, putative 0.0034 0.0574 0.0836
Brugia malayi Glycosyl hydrolases family 31 protein 0.0038 0.0686 0.1162
Trypanosoma brucei DNA polymerase kappa, putative 0.0018 0.0151 0.0207
Brugia malayi Corticotropin releasing factor receptor 2 precursor, putative 0.0107 0.2558 0.4555
Echinococcus granulosus diuretic hormone 44 receptor GPRdih2 0.0034 0.058 0.0497
Onchocerca volvulus 0.0099 0.2327 0.3606
Mycobacterium tuberculosis Possible conserved lipoprotein LpqK 0.0034 0.0574 0.0793
Entamoeba histolytica glycosyl hydrolase, family 31 protein 0.0038 0.0686 0.8116
Schistosoma mansoni tar DNA-binding protein 0.0136 0.3327 0.3225
Loa Loa (eye worm) pre-SET domain-containing protein family protein 0.0219 0.5563 1
Trypanosoma cruzi DNA polymerase beta thumb, putative 0.004 0.0737 0.0955
Trichomonas vaginalis neutral alpha-glucosidase ab precursor, putative 0.0038 0.0686 0.1013
Brugia malayi RNA binding protein 0.0136 0.3327 0.5949
Trypanosoma brucei DNA polymerase kappa, putative 0.0018 0.0151 0.0207
Entamoeba histolytica hypothetical protein 0.0043 0.0835 1
Trichomonas vaginalis DNA polymerase eta, putative 0.0018 0.0151 0.0169
Trypanosoma brucei DNA polymerase kappa, putative 0.0018 0.0151 0.0207
Onchocerca volvulus 0.0033 0.0541 0.0785
Brugia malayi Intermediate filament tail domain containing protein 0.0033 0.0541 0.0901
Schistosoma mansoni hypothetical protein 0.0034 0.058 0.0435
Onchocerca volvulus 0.0249 0.6376 1
Trichomonas vaginalis alpha-glucosidase, putative 0.0038 0.0686 0.1013
Brugia malayi beta-lactamase family protein 0.0034 0.0574 0.0959
Plasmodium vivax hypothetical protein, conserved 0.0034 0.0574 1
Loa Loa (eye worm) hypothetical protein 0.0032 0.0525 0.0871
Schistosoma mansoni hypothetical protein 0.0073 0.1642 0.1514
Trypanosoma cruzi hypothetical protein, conserved 0.0034 0.0574 0.073
Mycobacterium tuberculosis Probable conserved lipoprotein 0.0034 0.0574 0.0793
Onchocerca volvulus 0.0032 0.0523 0.0757
Schistosoma mansoni tar DNA-binding protein 0.0136 0.3327 0.3225
Echinococcus multilocularis GPCR, family 2 0.0034 0.058 0.0497
Echinococcus granulosus lysosomal alpha glucosidase 0.0171 0.4269 0.4219
Schistosoma mansoni hypothetical protein 0.017 0.4253 0.4165
Trypanosoma cruzi mitochondrial DNA polymerase beta, putative 0.0283 0.7296 1
Schistosoma mansoni histone-lysine n-methyltransferase setb1 0.0032 0.0523 0.0378
Loa Loa (eye worm) ImpB/MucB/SamB family protein 0.0018 0.0151 0.0194
Loa Loa (eye worm) pigment dispersing factor receptor c 0.0107 0.2558 0.4555
Trypanosoma brucei glucosidase, putative 0.0038 0.0686 0.094
Echinococcus granulosus dna polymerase eta 0.0018 0.0151 0.0065
Brugia malayi beta-lactamase 0.0034 0.0574 0.0959
Brugia malayi hypothetical protein 0.0043 0.0835 0.1432
Brugia malayi RNA recognition motif domain containing protein 0.0136 0.3327 0.5949
Echinococcus granulosus cadherin EGF LAG seven pass G type receptor 0.0034 0.058 0.0497
Echinococcus multilocularis lysosomal alpha glucosidase 0.0171 0.4269 0.4219
Schistosoma mansoni hypothetical protein 0.0034 0.058 0.0435
Brugia malayi ImpB/MucB/SamB family protein 0.0018 0.0151 0.0194
Trichomonas vaginalis sucrase-isomaltase, putative 0.0038 0.0686 0.1013
Brugia malayi Calcitonin receptor-like protein seb-1 0.0107 0.2558 0.4555
Loa Loa (eye worm) CXXC zinc finger family protein 0.0027 0.0389 0.0625
Mycobacterium tuberculosis Conserved hypothetical protein 0.0149 0.3684 0.6633
Schistosoma mansoni histone-lysine n-methyltransferase setb1 0.0032 0.0523 0.0378
Trypanosoma cruzi DNA polymerase kappa, putative 0.0018 0.0151 0.0148
Brugia malayi Ubiquitin carboxyl-terminal hydrolase family protein 0.0038 0.0683 0.1157
Brugia malayi intermediate filament protein 0.0033 0.0541 0.0901
Schistosoma mansoni lamin 0.0033 0.0541 0.0396
Schistosoma mansoni Guanine nucleotide-binding protein G(s) subunit alpha (Adenylate cyclase-stimulating G alpha protein) 0.0146 0.3589 0.3491
Brugia malayi cytoplasmic intermediate filament protein 0.0017 0.0134 0.0162
Mycobacterium tuberculosis Conserved protein 0.0034 0.0574 0.0793
Trypanosoma brucei DNA polymerase kappa, putative 0.0018 0.0151 0.0207
Onchocerca volvulus 0.0033 0.0541 0.0785
Echinococcus granulosus tar DNA binding protein 0.0136 0.3327 0.3268
Brugia malayi Hypothetical 52.5 kDa protein ZK945.1 in chromosome II, putative 0.0034 0.0574 0.0959
Mycobacterium tuberculosis Probable esterase/lipase LipP 0.0034 0.0574 0.0793
Trypanosoma brucei DNA polymerase kappa, putative 0.0018 0.0151 0.0207
Brugia malayi TAR-binding protein 0.0136 0.3327 0.5949
Trypanosoma brucei DNA polymerase kappa, putative 0.0018 0.0151 0.0207
Loa Loa (eye worm) RNA binding protein 0.0136 0.3327 0.5949
Echinococcus granulosus GPCR family 2 0.0034 0.058 0.0497
Echinococcus multilocularis ubiquitin carboxyl terminal hydrolase 8 0.0038 0.0683 0.0601
Trichomonas vaginalis Clan CA, family C19, ubiquitin hydrolase-like cysteine peptidase 0.0038 0.0683 0.1008
Entamoeba histolytica hypothetical protein 0.0043 0.0835 1
Trypanosoma brucei DNA polymerase IV, putative 0.0018 0.0151 0.0207
Trypanosoma cruzi hypothetical protein, conserved 0.0038 0.0686 0.0884
Trichomonas vaginalis D-aminoacylase, putative 0.0034 0.0574 0.0836
Entamoeba histolytica deoxycytidyl transferase, putative 0.0018 0.0151 0.1355
Trichomonas vaginalis penicillin-binding protein, putative 0.0034 0.0574 0.0836
Echinococcus multilocularis cpg binding protein 0.0028 0.0431 0.0347
Schistosoma mansoni mixed-lineage leukemia protein mll 0.0058 0.1234 0.1099
Trypanosoma brucei DNA polymerase IV, putative 0.0018 0.0151 0.0207
Schistosoma mansoni intermediate filament proteins 0.0033 0.0541 0.0396
Schistosoma mansoni hypothetical protein 0.0034 0.058 0.0435
Echinococcus multilocularis Peptidase C19, ubiquitin carboxyl terminal hydrolase 2 0.0038 0.0683 0.0601

Activities

Activity type Activity value Assay description Source Reference
Potency (functional) 5.1735 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) 18.526 uM PUBCHEM_BIOASSAY: Primary qHTS for delayed death inhibitors of the malarial parasite plastid, 48 hour incubation. (Class of assay: confirmatory) [Related pubchem assays (depositor defined):AID488752, AID488774, AID504848, AID504850] ChEMBL. No reference
Potency (functional) = 39.8107 um PUBCHEM_BIOASSAY: qHTS Assay for the Inhibitors of L3MBTL1. (Class of assay: confirmatory) [Related pubchem assays: 485292 (Probe Development Summary for Inhibitors of L3MBTL1)] ChEMBL. No reference

Phenotypes

Whole-cell/tissue/organism interactions

Species name Source Reference Is orphan
Plasmodium falciparum ChEMBL23

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

Annotated phenotypes:

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

External resources for this compound

Bibliographic References

No literature references available for this target.

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