Detailed information for compound 1399953

Basic information

Technical information
  • TDR Targets ID: 1399953
  • Name: N-[1-(1,3-benzodioxol-5-yl)ethyl]-5-methylthi ophene-3-carboxamide
  • MW: 289.35 | Formula: C15H15NO3S
  • H donors: 1 H acceptors: 1 LogP: 2.99 Rotable bonds: 4
    Rule of 5 violations (Lipinski): 1
  • SMILES: Cc1scc(c1)C(=O)NC(c1ccc2c(c1)OCO2)C
  • InChi: 1S/C15H15NO3S/c1-9-5-12(7-20-9)15(17)16-10(2)11-3-4-13-14(6-11)19-8-18-13/h3-7,10H,8H2,1-2H3,(H,16,17)
  • InChiKey: GIUMGRDEXUKDHN-UHFFFAOYSA-N  


Substructure search Similarity search

Network

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Synonyms

  • N-[1-(1,3-benzodioxol-5-yl)ethyl]-5-methyl-thiophene-3-carboxamide
  • N-[1-(1,3-benzodioxol-5-yl)ethyl]-5-methyl-3-thiophenecarboxamide
  • IVK/1023727
  • Oprea1_212230
  • AK-968/41924654
  • MLS000065585
  • SMR000080214

Targets

Known targets for this compound

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

Predicted pathogen targets for this compound

By orthology
Species Potential target Known druggable target/s Ortholog Group
Mycobacterium tuberculosis Possible penicillin-binding protein Get druggable targets OG5_149948 All targets in OG5_149948
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
Entamoeba histolytica glycosyl hydrolase, family 31 protein 0.0013 0.0011 0.0042
Plasmodium vivax hypothetical protein, conserved 0.0043 0.0403 0.8897
Leishmania major alpha glucosidase II subunit, putative 0.0035 0.0295 0.1136
Schistosoma mansoni family S12 unassigned peptidase (S12 family) 0.0043 0.0403 0.0407
Mycobacterium leprae Probable lipase LipE 0.0043 0.0403 0.5
Mycobacterium tuberculosis Conserved protein 0.0043 0.0403 0.0034
Echinococcus multilocularis neuropeptide s receptor 0.0506 0.6367 0.6338
Trichomonas vaginalis Clan CA, family C1, cathepsin L-like cysteine peptidase 0.0018 0.0078 0.0311
Trichomonas vaginalis Clan CA, family C1, papain-like cysteine peptidase 0.0018 0.0078 0.0311
Trypanosoma brucei cysteine peptidase, Clan CA, family C1, Cathepsin L-like 0.007 0.0742 0.2924
Trypanosoma brucei cysteine peptidase, Clan CA, family C1, Cathepsin L-like 0.007 0.0742 0.2924
Leishmania major cathepsin L-like protease 0.007 0.0742 0.2924
Echinococcus multilocularis Basic leucine zipper (bZIP) transcription 0.0043 0.0403 0.0327
Trypanosoma brucei cysteine peptidase, Clan CA, family C1, Cathepsin L-like 0.007 0.0742 0.2924
Echinococcus multilocularis geminin 0.0185 0.2233 0.2172
Brugia malayi GTP-binding regulatory protein Gs alpha-S chain, putative 0.0102 0.1154 0.4593
Trypanosoma cruzi cysteine peptidase, putative 0.007 0.0742 0.2924
Echinococcus granulosus cathepsin l1 0.0018 0.0078 0.0079
Schistosoma mansoni family U48 unassigned peptidase (U48 family) 0.0207 0.2512 0.2538
Entamoeba histolytica CAAX amino terminal protease family 0.0043 0.0393 0.1564
Loa Loa (eye worm) GTP-binding regulatory protein Gs alpha-S chain 0.0102 0.1154 0.4593
Trypanosoma cruzi hypothetical protein, conserved 0.0035 0.0295 0.1136
Trichomonas vaginalis Clan CA, family C1, cathepsin L-like cysteine peptidase 0.0018 0.0078 0.0311
Trypanosoma brucei cysteine peptidase, Clan CA, family C1, Cathepsin L-like 0.007 0.0742 0.2924
Trypanosoma brucei cysteine peptidase, Clan CA, family C1, Cathepsin L-like 0.007 0.0742 0.2924
Brugia malayi Trypsin family protein 0.0106 0.1215 0.4836
Trichomonas vaginalis Clan CA, family C1, cathepsin L-like cysteine peptidase 0.0018 0.0078 0.0311
Trichomonas vaginalis Clan CA, family C1, cathepsin L-like cysteine peptidase 0.0018 0.0078 0.0311
Brugia malayi beta-lactamase family protein 0.0043 0.0403 0.1604
Schistosoma mansoni subfamily S1A unassigned peptidase (S01 family) 0.0106 0.1215 0.1228
Echinococcus granulosus CAAX prenyl protease 2 0.0207 0.2512 0.2538
Schistosoma mansoni hypothetical protein 0.0185 0.2233 0.2256
Trypanosoma brucei cysteine peptidase, Clan CA, family C1, Cathepsin L-like 0.007 0.0742 0.2924
Echinococcus multilocularis microtubule associated protein 2 0.0779 0.9896 0.9896
Plasmodium falciparum protease, putative 0.0043 0.0393 0.9989
Schistosoma mansoni gcn5proteinral control of amino-acid synthesis 5-like 2 gcnl2 0.0158 0.1887 0.1907
Loa Loa (eye worm) beta-lactamase 0.0043 0.0403 0.1604
Trypanosoma brucei glucosidase, putative 0.0035 0.0295 0.1136
Schistosoma mansoni aldehyde dehydrogenase 0.0059 0.0605 0.0612
Trichomonas vaginalis D-aminoacylase, putative 0.0043 0.0403 0.1604
Schistosoma mansoni cathepsin F (C01 family) 0.0018 0.0078 0.0079
Trichomonas vaginalis Clan CA, family C1, cathepsin L-like cysteine peptidase 0.0018 0.0078 0.0311
Mycobacterium ulcerans esterase/lipase LipP 0.0043 0.0403 0.0479
Brugia malayi Cathepsin L-like precursor 0.0018 0.0078 0.0311
Onchocerca volvulus Cathepsin F homolog 0.0018 0.0078 0.0643
Schistosoma mansoni aldehyde dehydrogenase 0.0059 0.0605 0.0612
Onchocerca volvulus 0.0106 0.1215 1
Loa Loa (eye worm) hypothetical protein 0.0013 0.0011 0.0042
Schistosoma mansoni transcription factor LCR-F1 0.0043 0.0403 0.0407
Entamoeba histolytica cysteine protease, putative 0.0018 0.0078 0.0311
Trichomonas vaginalis Clan CA, family C1, cathepsin L-like cysteine peptidase 0.0018 0.0078 0.0311
Trichomonas vaginalis Clan CA, family C1, papain-like cysteine peptidase 0.0018 0.0078 0.0311
Trichomonas vaginalis Clan CA, family C1, papain-like cysteine peptidase 0.0018 0.0078 0.0311
Trichomonas vaginalis Clan CA, family C1, papain-like cysteine peptidase 0.0018 0.0078 0.0311
Trypanosoma cruzi cruzipain precursor, putative 0.007 0.0742 0.2924
Toxoplasma gondii aldehyde dehydrogenase 0.0059 0.0605 1
Echinococcus granulosus beta LACTamase domain containing family member 0.0043 0.0403 0.0407
Mycobacterium tuberculosis Probable lipase LipD 0.0043 0.0403 0.0034
Echinococcus multilocularis lysosomal alpha glucosidase 0.0158 0.1883 0.1819
Entamoeba histolytica CAAX amino terminal protease family 0.0043 0.0393 0.1564
Chlamydia trachomatis hypothetical protein 0.0043 0.0393 0.5
Schistosoma mansoni cathepsin F (C01 family) 0.0018 0.0078 0.0079
Mycobacterium tuberculosis Probable esterase/lipase LipP 0.0043 0.0403 0.0034
Mycobacterium tuberculosis Probable hydrolase 0.0043 0.0403 0.0034
Echinococcus granulosus microtubule associated protein 2 0.0779 0.9896 1
Trichomonas vaginalis alpha-glucosidase, putative 0.0013 0.0011 0.0042
Mycobacterium tuberculosis Possible penicillin-binding protein 0.0278 0.3427 1
Trypanosoma brucei cysteine peptidase, Clan CA, family C1, Cathepsin L-like 0.007 0.0742 0.2924
Trichomonas vaginalis Clan CA, family C1, cathepsin L-like cysteine peptidase 0.0018 0.0078 0.0311
Trichomonas vaginalis maltase-glucoamylase, putative 0.0035 0.0295 0.1173
Echinococcus multilocularis neuropeptide receptor A26 0.0506 0.6367 0.6338
Schistosoma mansoni alpha glucosidase 0.0035 0.0295 0.0298
Leishmania major CAAX prenyl protease 2, putative,peptidase with unknown catalytic mechanism (family U48) 0.0207 0.2512 1
Entamoeba histolytica cysteine proteinase, putative 0.0018 0.0078 0.0311
Trichomonas vaginalis D-aminoacylase, putative 0.0043 0.0403 0.1604
Mycobacterium tuberculosis Probable conserved lipoprotein 0.0043 0.0403 0.0034
Mycobacterium tuberculosis Conserved protein 0.0043 0.0403 0.0034
Trichomonas vaginalis alpha-glucosidase, putative 0.0013 0.0011 0.0042
Schistosoma mansoni family U48 unassigned peptidase (U48 family) 0.0207 0.2512 0.2538
Brugia malayi Glycosyl hydrolases family 31 protein 0.0013 0.0011 0.0042
Onchocerca volvulus 0.0018 0.0078 0.0643
Trypanosoma brucei cysteine peptidase, Clan CA, family C1, Cathepsin L-like 0.007 0.0742 0.2924
Trichomonas vaginalis Clan CA, family C1, cathepsin L-like cysteine peptidase 0.0018 0.0078 0.0311
Mycobacterium tuberculosis Probable esterase LipL 0.0043 0.0403 0.0034
Schistosoma mansoni Guanine nucleotide-binding protein G(s) subunit alpha (Adenylate cyclase-stimulating G alpha protein) 0.0102 0.1154 0.1166
Schistosoma mansoni alpha-glucosidase 0.0136 0.1599 0.1615
Echinococcus granulosus neuropeptide s receptor 0.0506 0.6367 0.6434
Toxoplasma gondii histone lysine acetyltransferase GCN5-B 0.0047 0.0443 0.6927
Echinococcus granulosus histone acetyltransferase KAT2B 0.0154 0.183 0.1849
Echinococcus granulosus geminin 0.0185 0.2233 0.2256
Echinococcus granulosus histone acetyltransferase KAT2B 0.0047 0.0443 0.0448
Schistosoma mansoni microtubule-associated protein tau 0.0779 0.9896 1
Onchocerca volvulus Uncharacterized family 31 glucosidase KIAA1161 homolog 0.0013 0.0011 0.0087
Schistosoma mansoni Guanine nucleotide-binding protein G(s) subunit alpha (Adenylate cyclase-stimulating G alpha protein) 0.0102 0.1154 0.1166
Trichomonas vaginalis alpha-glucosidase, putative 0.0035 0.0295 0.1173
Leishmania major cathepsin L-like protease 0.007 0.0742 0.2924
Trichomonas vaginalis cat eye syndrome critical region protein 2, cscr2, putative 0.0047 0.0443 0.1765
Trichomonas vaginalis alpha-glucosidase, putative 0.0035 0.0295 0.1173
Brugia malayi Glycosyl hydrolases family 31 protein 0.0158 0.1883 0.7495
Echinococcus granulosus Basic leucine zipper bZIP transcription 0.0043 0.0403 0.0407
Schistosoma mansoni Guanine nucleotide-binding protein G(s) subunit alpha (Adenylate cyclase-stimulating G alpha protein) 0.0102 0.1154 0.1166
Echinococcus multilocularis aldehyde dehydrogenase, mitochondrial 0.0059 0.0605 0.0531
Trichomonas vaginalis Clan U, family U48, CaaX prenyl peptidase 2-like 0.0207 0.2512 1
Toxoplasma gondii histone lysine acetyltransferase GCN5-A 0.0047 0.0443 0.6927
Mycobacterium leprae conserved hypothetical protein 0.0043 0.0403 0.5
Giardia lamblia Hypothetical protein 0.0207 0.2512 1
Trichomonas vaginalis alpha-glucosidase, putative 0.0035 0.0295 0.1173
Trichomonas vaginalis Clan CA, family C1, cathepsin L-like cysteine peptidase 0.0018 0.0078 0.0311
Leishmania major cathepsin L-like protease 0.0018 0.0078 0.027
Toxoplasma gondii CAAX amino terminal protease family protein 0.0043 0.0393 0.597
Echinococcus multilocularis gcn5proteinral control of amino acid synthesis 0.0158 0.1887 0.1823
Trypanosoma brucei CAAX amino terminal protease, putative 0.0207 0.2512 1
Trichomonas vaginalis Clan CA, family C1, papain-like cysteine peptidase 0.0018 0.0078 0.0311
Entamoeba histolytica hypothetical protein 0.0043 0.0403 0.1603
Trichomonas vaginalis neutral alpha-glucosidase ab precursor, putative 0.0013 0.0011 0.0042
Loa Loa (eye worm) hypothetical protein 0.0018 0.0078 0.0311
Onchocerca volvulus 0.0018 0.0078 0.0643
Trypanosoma cruzi cysteine peptidase, putative 0.0018 0.0078 0.027
Entamoeba histolytica glycosyl hydrolase, family 31 protein 0.0035 0.0295 0.1173
Trypanosoma cruzi hypothetical protein, conserved 0.0035 0.0295 0.1136
Echinococcus multilocularis guanine nucleotide binding protein G(s) subunit 0.0102 0.1154 0.1084
Trichomonas vaginalis Clan CA, family C1, papain-like cysteine peptidase 0.0018 0.0078 0.0311
Schistosoma mansoni hypothetical protein 0.0185 0.2233 0.2256
Onchocerca volvulus 0.0018 0.0078 0.0643
Mycobacterium ulcerans hypothetical protein 0.0043 0.0403 0.0479
Trichomonas vaginalis penicillin-binding protein, putative 0.0043 0.0403 0.1604
Loa Loa (eye worm) glycosyl hydrolase family 31 protein 0.0035 0.0295 0.1173
Echinococcus granulosus cathepsin l cysteine peptidase 0.0018 0.0078 0.0079
Loa Loa (eye worm) fibroinase 0.0018 0.0078 0.0311
Trichomonas vaginalis Clan CA, family C1, cathepsin L-like cysteine peptidase 0.0018 0.0078 0.0311
Brugia malayi Cathepsin L-like precursor 0.0018 0.0078 0.0311
Mycobacterium ulcerans fusion of enoyl-CoA hydratase, EchA21 and lipase, LipE 0.0043 0.0403 0.0479
Trypanosoma cruzi major cysteine proteinase, putative 0.0055 0.0549 0.2154
Toxoplasma gondii glycosyl hydrolase, family 31 protein 0.0035 0.0295 0.4109
Schistosoma mansoni subfamily S1A unassigned peptidase (S01 family) 0.0106 0.1215 0.1228
Entamoeba histolytica hypothetical protein 0.0043 0.0403 0.1603
Loa Loa (eye worm) Papain cysteine protease/cathepsin propeptide inhibitor-containing protein 0.0018 0.0078 0.0311
Onchocerca volvulus 0.0018 0.0078 0.0643
Entamoeba histolytica glycosyl hydrolase, family 31 protein 0.0035 0.0295 0.1173
Trypanosoma brucei hypothetical protein, conserved 0.0043 0.0403 0.1569
Loa Loa (eye worm) hypothetical protein 0.0207 0.2512 1
Loa Loa (eye worm) hypothetical protein 0.0043 0.0403 0.1604
Plasmodium vivax protease, putative 0.0043 0.0393 0.8619
Brugia malayi CAAX amino terminal protease family protein 0.0207 0.2512 1
Trichomonas vaginalis esterase, putative 0.0043 0.0403 0.1604
Entamoeba histolytica acetyltransferase, GNAT family 0.0043 0.0393 0.1565
Brugia malayi Cathepsin L-like precursor 0.0018 0.0078 0.0311
Loa Loa (eye worm) hypothetical protein 0.0043 0.0403 0.1604
Leishmania major cathepsin L-like protease 0.0018 0.0078 0.027
Brugia malayi Papain family cysteine protease containing protein 0.0018 0.0078 0.0311
Onchocerca volvulus 0.0099 0.1125 0.9263
Trichomonas vaginalis bromodomain-containing protein, putative 0.0047 0.0443 0.1765
Trichomonas vaginalis Clan CA, family C1, cathepsin L or K-like cysteine peptidase 0.0018 0.0078 0.0311
Mycobacterium tuberculosis Probable aldehyde dehydrogenase 0.0059 0.0605 0.07
Trichomonas vaginalis neutral alpha-glucosidase ab precursor, putative 0.0035 0.0295 0.1173
Brugia malayi Hypothetical 52.5 kDa protein ZK945.1 in chromosome II, putative 0.0043 0.0403 0.1604
Echinococcus granulosus lysosomal alpha glucosidase 0.0158 0.1883 0.1902
Mycobacterium tuberculosis Probable lipase LipE 0.0043 0.0403 0.0034
Loa Loa (eye worm) hypothetical protein 0.0106 0.1215 0.4836
Trypanosoma cruzi hypothetical protein, conserved 0.0043 0.0403 0.1569
Loa Loa (eye worm) hypothetical protein 0.0043 0.0403 0.1604
Echinococcus multilocularis beta LACTamase domain containing family member 0.0043 0.0403 0.0327
Brugia malayi Cathepsin L-like precursor 0.0018 0.0078 0.0311
Trichomonas vaginalis Clan CA, family C1, cathepsin L or K-like cysteine peptidase 0.0018 0.0078 0.0311
Trypanosoma cruzi hypothetical protein, conserved 0.0043 0.0403 0.1569
Loa Loa (eye worm) beta-LACTamase domain containing family member 0.0043 0.0403 0.1604
Echinococcus granulosus cathepsin L cysteine proteinase 0.0018 0.0078 0.0079
Onchocerca volvulus 0.0018 0.0078 0.0643
Brugia malayi beta-lactamase family protein 0.0043 0.0403 0.1604
Onchocerca volvulus 0.0018 0.0078 0.0643
Trichomonas vaginalis alpha-glucosidase, putative 0.0035 0.0295 0.1173
Leishmania major cysteine peptidase A (CPA) 0.0018 0.0078 0.027
Leishmania major cathepsin L-like protease 0.007 0.0742 0.2924
Trichomonas vaginalis alpha-glucosidase, putative 0.0013 0.0011 0.0042
Leishmania major aldehyde dehydrogenase, mitochondrial precursor 0.0059 0.0605 0.2378
Loa Loa (eye worm) glycosyl hydrolase family 31 protein 0.0158 0.1883 0.7495
Echinococcus multilocularis CAAX prenyl protease 2 0.0207 0.2512 0.2453
Onchocerca volvulus 0.0043 0.0403 0.3317
Brugia malayi beta-lactamase 0.0043 0.0403 0.1604
Plasmodium falciparum histone acetyltransferase GCN5 0.0043 0.0393 1
Brugia malayi acetyltransferase, GNAT family protein 0.0158 0.1887 0.7512
Mycobacterium ulcerans lipase LipD 0.0043 0.0403 0.0479
Trichomonas vaginalis Clan CA, family C1, cathepsin L-like cysteine peptidase 0.0018 0.0078 0.0311
Trypanosoma brucei cysteine peptidase, Clan CA, family C1, Cathepsin L-like 0.007 0.0742 0.2924
Echinococcus granulosus aldehyde dehydrogenase mitochondrial 0.0059 0.0605 0.0612
Leishmania major cathepsin L-like protease 0.0018 0.0078 0.027
Trichomonas vaginalis alpha-glucosidase, putative 0.0035 0.0295 0.1173
Trypanosoma cruzi CAAX prenyl protease 2, putative 0.0207 0.2512 1
Entamoeba histolytica hypothetical protein 0.0043 0.0403 0.1603
Trichomonas vaginalis alpha-glucosidase, putative 0.0013 0.0011 0.0042
Plasmodium vivax histone acetyltransferase GCN5, putative 0.0047 0.0443 1
Trichomonas vaginalis neutral alpha-glucosidase ab precursor, putative 0.0035 0.0295 0.1173
Trichomonas vaginalis alpha-glucosidase, putative 0.0013 0.0011 0.0042
Trypanosoma cruzi cysteine peptidase, putative 0.007 0.0742 0.2924
Mycobacterium tuberculosis Possible conserved lipoprotein LpqK 0.0043 0.0403 0.0034
Trypanosoma brucei cysteine peptidase, Clan CA, family C1, Cathepsin L-like 0.007 0.0742 0.2924
Loa Loa (eye worm) hypothetical protein 0.0043 0.0403 0.1604
Onchocerca volvulus Cathepsin L homolog 0.0018 0.0078 0.0643
Leishmania major cathepsin L-like protease 0.0018 0.0078 0.027
Loa Loa (eye worm) acetyltransferase 0.0158 0.1887 0.7512
Trichomonas vaginalis sucrase-isomaltase, putative 0.0035 0.0295 0.1173
Leishmania major hypothetical protein, conserved 0.0043 0.0403 0.1569
Trypanosoma cruzi peptidase with unknown catalytic mechanism (family U48) 0.0207 0.2512 1
Echinococcus granulosus guanine nucleotide binding protein Gs subunit 0.0102 0.1154 0.1166
Mycobacterium ulcerans beta-lactamase 0.0043 0.0403 0.0479
Echinococcus granulosus neutral alpha glucosidase AB 0.0035 0.0295 0.0298
Echinococcus multilocularis neutral alpha glucosidase AB 0.0035 0.0295 0.0218
Schistosoma mansoni alpha-glucosidase 0.0136 0.1599 0.1615
Onchocerca volvulus 0.0043 0.0403 0.3317
Trichomonas vaginalis neutral alpha-glucosidase ab precursor, putative 0.0013 0.0011 0.0042
Entamoeba histolytica cysteine proteinase, putative 0.0018 0.0078 0.0311
Brugia malayi Cathepsin L-like precursor 0.0018 0.0078 0.0311
Schistosoma mansoni family S12 unassigned peptidase (S12 family) 0.0043 0.0403 0.0407
Loa Loa (eye worm) hypothetical protein 0.0043 0.0403 0.1604
Trichomonas vaginalis maltase-glucoamylase, putative 0.0013 0.0011 0.0042
Mycobacterium ulcerans aldehyde dehydrogenase 0.0059 0.0605 1
Trypanosoma brucei cysteine peptidase, Clan CA, family C1, Cathepsin L-like 0.007 0.0742 0.2924
Mycobacterium tuberculosis Conserved protein 0.0043 0.0403 0.0034
Toxoplasma gondii hypothetical protein 0.0043 0.0393 0.597
Schistosoma mansoni hypothetical protein 0.0043 0.0403 0.0407
Onchocerca volvulus Cathepsin L homolog 0.0018 0.0078 0.0643
Trypanosoma cruzi cysteine peptidase, clan CA, family C1, cathepsin L-like, putative 0.0064 0.0664 0.2612
Loa Loa (eye worm) hypothetical protein 0.0106 0.1215 0.4836
Mycobacterium ulcerans aldehyde dehydrogenase 0.0059 0.0605 1
Trichomonas vaginalis D-aminoacylase, putative 0.0043 0.0403 0.1604
Treponema pallidum hypothetical protein 0.0043 0.0393 0.5
Trichomonas vaginalis penicillin-binding protein, putative 0.0043 0.0403 0.1604
Brugia malayi Glycosyl hydrolases family 31 protein 0.0035 0.0295 0.1173
Trichomonas vaginalis Clan CA, family C1, papain-like cysteine peptidase 0.0018 0.0078 0.0311
Toxoplasma gondii ABC1 family protein 0.0043 0.0403 0.6163
Trichomonas vaginalis Clan CA, family C1, papain-like cysteine peptidase 0.0018 0.0078 0.0311
Echinococcus multilocularis guanine nucleotide binding protein G(s) subunit 0.0102 0.1154 0.1084
Loa Loa (eye worm) ctsf protein 0.0018 0.0078 0.0311
Leishmania major cathepsin L-like protease 0.0018 0.0078 0.027
Loa Loa (eye worm) cysteine protease 0.0018 0.0078 0.0311
Entamoeba histolytica hypothetical protein 0.0043 0.0403 0.1603
Entamoeba histolytica CAAX prenyl protease family 0.0207 0.2512 1
Echinococcus granulosus neuropeptide receptor A26 0.0506 0.6367 0.6434
Onchocerca volvulus 0.0043 0.0403 0.3317
Trichomonas vaginalis Clan CA, family C1, cathepsin L-like cysteine peptidase 0.0018 0.0078 0.0311
Echinococcus granulosus guanine nucleotide binding protein Gs subunit 0.0102 0.1154 0.1166
Brugia malayi Cathepsin L-like precursor 0.0018 0.0078 0.0311
Trypanosoma cruzi cysteine peptidase, putative 0.007 0.0742 0.2924
Onchocerca volvulus 0.0091 0.1022 0.8414
Loa Loa (eye worm) papain family cysteine protease containing protein 0.0018 0.0078 0.0311
Onchocerca volvulus 0.0018 0.0078 0.0643
Trichomonas vaginalis Clan CA, family C1, cathepsin L-like cysteine peptidase 0.0018 0.0078 0.0311
Mycobacterium ulcerans aldehyde dehydrogenase 0.0059 0.0605 1
Trichomonas vaginalis Clan CA, family C1, cathepsin L-like cysteine peptidase 0.0018 0.0078 0.0311
Echinococcus multilocularis lysosomal alpha glucosidase 0.0158 0.1883 0.1819
Trichomonas vaginalis Clan CA, family C1, papain-like cysteine peptidase 0.0018 0.0078 0.0311
Toxoplasma gondii hypothetical protein 0.0043 0.0393 0.597
Loa Loa (eye worm) hypothetical protein 0.0043 0.0403 0.1604
Brugia malayi hypothetical protein 0.0043 0.0403 0.1603

Activities

Activity type Activity value Assay description Source Reference
Potency (functional) = 7.9433 um PUBCHEM_BIOASSAY: qHTS Inhibitors of AmpC Beta-Lactamase (assay with detergent). (Class of assay: confirmatory) [Related pubchem assays: 1002 (Confirmation Concentration-Response Assay for Inhibitors of AmpC Beta-Lactamase (assay with detergent)), 585 (Promiscuous and Specific Inhibitors of AmpC Beta-Lactamase (assay without detergent) - a screen old NIH MLSMR collection), 584 (Promiscuous and Specific Inhibitors of AmpC Beta-Lactamase (assay with detergent) - a screen of the old NIH MLSMR collection), 1003 (Confirmation Cuvette-Based Assay for Inhibitors of AmpC Beta-Lactamase (assay with detergent))] ChEMBL. No reference
Potency (functional) 14.581 uM PUBCHEM_BIOASSAY: Nrf2 qHTS screen for inhibitors. (Class of assay: confirmatory) [Related pubchem assays (depositor defined):AID493153, AID493163, AID504648] 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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