Detailed information for compound 21504

Basic information

Technical information
  • TDR Targets ID: 21504
  • Name: 5-bromo-2-[[4-[4-(diethylamino)but-2-ynoxy]ph enyl]sulfonyl-methylamino]-N-hydroxy-3-methyl benzamide
  • MW: 538.455 | Formula: C23H28BrN3O5S
  • H donors: 2 H acceptors: 4 LogP: 3.27 Rotable bonds: 10
    Rule of 5 violations (Lipinski): 2
  • SMILES: CCN(CC#CCOc1ccc(cc1)S(=O)(=O)N(c1c(C)cc(cc1C(=O)NO)Br)C)CC
  • InChi: 1S/C23H28BrN3O5S/c1-5-27(6-2)13-7-8-14-32-19-9-11-20(12-10-19)33(30,31)26(4)22-17(3)15-18(24)16-21(22)23(28)25-29/h9-12,15-16,29H,5-6,13-14H2,1-4H3,(H,25,28)
  • InChiKey: WZCXPYXIESDPBM-UHFFFAOYSA-N  


Substructure search Similarity search

Network

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Synonyms

  • 5-bromo-2-[[4-[4-(diethylamino)but-2-ynoxy]phenyl]sulfonyl-methyl-amino]-3-methyl-benzenecarbohydroxamic acid
  • 5-bromo-2-[[4-[4-(diethylamino)but-2-ynoxy]phenyl]sulfonyl-methylamino]-3-methylbenzenecarbohydroxamic acid
  • 5-bromo-2-[[4-[4-(diethylamino)but-2-ynoxy]phenyl]sulfonyl-methyl-amino]-N-hydroxy-3-methyl-benzamide
  • 5-bromo-2-[[4-(4-diethylaminobut-2-ynoxy)phenyl]sulfonyl-methylamino]-N-hydroxy-3-methylbenzamide
  • 5-bromo-2-[[4-(4-diethylaminobut-2-ynoxy)phenyl]sulfonyl-methyl-amino]-3-methyl-benzenecarbohydroxamic acid
  • 5-bromo-2-[[4-(4-diethylaminobut-2-ynoxy)phenyl]sulfonyl-methylamino]-3-methylbenzenecarbohydroxamic acid
  • 5-bromo-2-[[4-(4-diethylaminobut-2-ynoxy)phenyl]sulfonyl-methyl-amino]-N-hydroxy-3-methyl-benzamide

Targets

Known targets for this compound

Species Target name Source Bibliographic reference
Homo sapiens matrix metallopeptidase 13 (collagenase 3) Starlite/ChEMBL References
Homo sapiens ADAM metallopeptidase domain 17 Starlite/ChEMBL References
Homo sapiens matrix metallopeptidase 9 (gelatinase B, 92kDa gelatinase, 92kDa type IV collagenase) Starlite/ChEMBL References

Predicted pathogen targets for this compound

By orthology
Species Potential target Known druggable target/s Ortholog Group
Echinococcus granulosus adam 17 protease Get druggable targets OG5_132656 All targets in OG5_132656
Echinococcus multilocularis adam 17 protease Get druggable targets OG5_132656 All targets in OG5_132656
Echinococcus granulosus Blood coagulation inhibitor Disintegrin Get druggable targets OG5_132656 All targets in OG5_132656
Loa Loa (eye worm) hypothetical protein Get druggable targets OG5_132656 All targets in OG5_132656
Echinococcus multilocularis Blood coagulation inhibitor, Disintegrin Get druggable targets OG5_132656 All targets in OG5_132656
Schistosoma mansoni ADAM17 peptidase (M12 family) Get druggable targets OG5_132656 All targets in OG5_132656
Schistosoma japonicum ko:K06059 a disintegrin and metalloproteinase domain 17, putative Get druggable targets OG5_132656 All targets in OG5_132656
By sequence similarity to non orthologous known druggable targets
Species Potential target Known druggable target Length Alignment span Identity
Brugia malayi Disintegrin family protein ADAM metallopeptidase domain 17 824 aa 724 aa 27.4 %
Echinococcus granulosus matrix metallopeptidase 7 M10 family matrix metallopeptidase 13 (collagenase 3) 471 aa 448 aa 34.1 %
Obtained from network model

Ranking Plot

Putative Targets List

Species Potential target Raw Global Species
Chlamydia trachomatis glycogen phosphorylase 0.0705 0.2367 0.5
Brugia malayi trehalase I 0.0151 0.011 0.0102
Brugia malayi Beta-glucuronidase precursor 0.0285 0.0656 0.0648
Echinococcus multilocularis neutral alpha glucosidase AB 0.0674 0.2239 0.2212
Onchocerca volvulus 0.0254 0.053 0.0588
Onchocerca volvulus 0.0437 0.1272 0.1513
Trichomonas vaginalis maltase-glucoamylase, putative 0.0331 0.0844 0.1825
Trichomonas vaginalis glucosylceramidase, putative 0.0522 0.162 0.3686
Loa Loa (eye worm) hypothetical protein 0.0145 0.0083 0.0083
Trichomonas vaginalis alpha-glucosidase, putative 0.0331 0.0844 0.1825
Trichomonas vaginalis glucosylceramidase, putative 0.0522 0.162 0.3686
Brugia malayi Trehalase family protein 0.0437 0.1272 0.1265
Echinococcus multilocularis glycogen phosphorylase 0.0705 0.2367 0.2339
Entamoeba histolytica glycogen debranching enzyme, putative 0.0563 0.1785 0.596
Echinococcus multilocularis glycogen debranching enzyme 0.0563 0.1785 0.1756
Echinococcus multilocularis alpha glucosidase 0.0162 0.0155 0.0119
Schistosoma mansoni alpha-galactosidase/alpha-n-acetylgalactosaminidase 0.0405 0.1143 0.1272
Brugia malayi Glycosyl hydrolases family 2, sugar binding domain containing protein 0.0309 0.0753 0.0745
Onchocerca volvulus 0.0437 0.1272 0.1513
Leishmania major inosine-adenosine-guanosine-nucleoside hydrolase, putative 0.047 0.1406 0.4029
Trypanosoma cruzi hypothetical protein, conserved 0.0674 0.2239 1
Echinococcus granulosus lysosomal alpha mannosidase 0.0174 0.0203 0.0168
Schistosoma mansoni alpha-galactosidase/alpha-n-acetylgalactosaminidase 0.0405 0.1143 0.1272
Loa Loa (eye worm) hypothetical protein 0.0437 0.1272 0.1272
Echinococcus granulosus lysosomal alpha glucosidase 0.258 1 1
Loa Loa (eye worm) trehalase 0.0437 0.1272 0.1272
Echinococcus granulosus bile acid beta glucosidase 0.023 0.0432 0.0398
Trichomonas vaginalis glycogen phosphorylase, putative 0.0705 0.2367 0.5476
Loa Loa (eye worm) hypothetical protein 0.1055 0.379 0.379
Schistosoma mansoni hypothetical protein 0.0406 0.1149 0.1278
Brugia malayi Trehalase family protein 0.0437 0.1272 0.1265
Schistosoma mansoni beta-mannosidase 0.0222 0.04 0.0418
Trypanosoma brucei lysosomal alpha-mannosidase precursor, putative 0.0174 0.0203 0.0768
Loa Loa (eye worm) hypothetical protein 0.0138 0.0058 0.0058
Loa Loa (eye worm) hypothetical protein 0.0138 0.0058 0.0058
Trichomonas vaginalis neutral alpha-glucosidase ab precursor, putative 0.0331 0.0844 0.1825
Echinococcus multilocularis Blood coagulation inhibitor, Disintegrin 0.014 0.0064 0.0028
Trichomonas vaginalis conserved hypothetical protein 0.0437 0.1272 0.2853
Echinococcus multilocularis matrix metallopeptidase 7 (M10 family) 0.0172 0.0196 0.016
Echinococcus granulosus beta galactosidase 0.0942 0.3329 0.3305
Echinococcus multilocularis adam 17 protease 0.0223 0.0402 0.0367
Loa Loa (eye worm) hypothetical protein 0.0151 0.011 0.011
Loa Loa (eye worm) O-glycosyl hydrolase family 30 protein 0.0796 0.2734 0.2734
Schistosoma mansoni thyroid hormone receptor 0.0144 0.0079 0.005
Echinococcus granulosus fucosidase alpha L 1 tissue 0.1745 0.66 0.6588
Entamoeba histolytica glycogenphosphorylase, putative 0.0305 0.0736 0.2125
Trichomonas vaginalis alpha-mannosidase 2c1, putative 0.0159 0.0143 0.0144
Brugia malayi Glycosyl hydrolases family 38 protein 0.0248 0.0503 0.0496
Loa Loa (eye worm) hypothetical protein 0.0125 0.0002 0.0002
Echinococcus granulosus snurportin 1 0.034 0.0878 0.0845
Echinococcus granulosus Blood coagulation inhibitor Disintegrin 0.014 0.0064 0.0028
Echinococcus granulosus Glycosyl transferase family 35 0.0705 0.2367 0.2339
Echinococcus multilocularis non lysosomal glucosylceramidase 0.023 0.0432 0.0398
Echinococcus granulosus neutral alpha glucosidase AB 0.0674 0.2239 0.2212
Loa Loa (eye worm) hypothetical protein 0.0563 0.1785 0.1785
Echinococcus multilocularis mannosyl oligosaccharide 1,2 alpha mannosidase 0.0145 0.0083 0.0047
Schistosoma mansoni alpha-glucosidase 0.2271 0.8743 1
Brugia malayi Glycosyl hydrolases family 31 protein 0.0331 0.0844 0.0837
Loa Loa (eye worm) manba-prov protein 0.0164 0.0161 0.0161
Echinococcus multilocularis Glycoside hydrolase, family 27 0.0405 0.1143 0.1111
Trichomonas vaginalis neutral alpha-glucosidase ab precursor, putative 0.0674 0.2239 0.5172
Echinococcus multilocularis Alpha N acetylgalactosaminidase 0.0405 0.1143 0.1111
Trichomonas vaginalis beta-mannosidase, putative 0.0222 0.04 0.0761
Brugia malayi trehalase 0.0151 0.011 0.0102
Onchocerca volvulus 0.2109 0.8085 1
Trichomonas vaginalis conserved hypothetical protein 0.0289 0.067 0.1408
Schistosoma mansoni alpha-amylase 0.0162 0.0155 0.0137
Trichomonas vaginalis alpha-glucosidase, putative 0.0674 0.2239 0.5172
Trichomonas vaginalis glucosylceramidase, putative 0.0522 0.162 0.3686
Echinococcus granulosus endoplasmic reticulum mannosyl oligosaccharide 0.0145 0.0083 0.0047
Trichomonas vaginalis glucosylceramidase, putative 0.0522 0.162 0.3686
Treponema pallidum hypothetical protein 0.0151 0.011 0.5
Brugia malayi Trehalase family protein 0.0151 0.011 0.0102
Onchocerca volvulus 0.0437 0.1272 0.1513
Trichomonas vaginalis glycoside hydrolase, putative 0.0761 0.2593 0.6019
Schistosoma mansoni hypothetical protein 0.0417 0.1192 0.1328
Trichomonas vaginalis neutral alpha-glucosidase ab precursor, putative 0.0674 0.2239 0.5172
Trichomonas vaginalis alpha-mannosidase 2c1, putative 0.0151 0.0109 0.0062
Brugia malayi follicle stimulating hormone receptor 0.0251 0.0517 0.0509
Brugia malayi Glycosyl hydrolases family 31 protein 0.0674 0.2239 0.2233
Echinococcus multilocularis geminin 0.0187 0.0256 0.0221
Onchocerca volvulus 0.0437 0.1272 0.1513
Echinococcus granulosus glycogen phosphorylase 0.0705 0.2367 0.2339
Trichomonas vaginalis glycoside hydrolases, putative 0.1168 0.4253 1
Echinococcus multilocularis lysosomal alpha glucosidase 0.258 1 1
Brugia malayi manba-prov protein 0.0449 0.1323 0.1316
Mycobacterium ulcerans alpha-mannosidase 0.0248 0.0503 0.0541
Schistosoma mansoni bile acid beta-glucosidase-related 0.023 0.0432 0.0456
Schistosoma mansoni alpha-amylase 0.0162 0.0155 0.0137
Entamoeba histolytica glycogen phosphorylase, putative 0.0705 0.2367 0.8086
Brugia malayi hypothetical protein 0.0151 0.011 0.0102
Mycobacterium tuberculosis Possible conserved exported protein 0.0834 0.289 1
Brugia malayi Mannosyl-oligosaccharide alpha-1,2-mannosidase isoform 1 0.0145 0.0083 0.0075
Brugia malayi Glycosyl hydrolases family 38 protein 0.0138 0.0058 0.005
Brugia malayi Trehalase family protein 0.0437 0.1272 0.1265
Plasmodium falciparum conserved Plasmodium protein, unknown function 0.03 0.0714 0.5
Echinococcus multilocularis bile acid beta glucosidase 0.023 0.0432 0.0398
Trypanosoma cruzi inosine-adenosine-guanosine-nucleosidehydrolase, putative 0.047 0.1406 0.5908
Loa Loa (eye worm) hypothetical protein 0.0151 0.011 0.011
Schistosoma mansoni glycogen phosphorylase 0.0705 0.2367 0.2677
Schistosoma mansoni alpha-amylase 0.0162 0.0155 0.0137
Trichomonas vaginalis glycogen debranching enzyme, putative 0.0563 0.1785 0.4082
Brugia malayi carbohydrate phosphorylase 0.0705 0.2367 0.236
Schistosoma mansoni ADAM17 peptidase (M12 family) 0.0223 0.0402 0.042
Echinococcus multilocularis alpha mannosidase 2 0.0138 0.0058 0.0022
Giardia lamblia Glycogen phosphorylase 0.0705 0.2367 1
Echinococcus multilocularis thyroid hormone receptor alpha 0.0144 0.0079 0.0044
Trichomonas vaginalis set domain proteins, putative 0.0254 0.053 0.1071
Echinococcus granulosus Alpha N acetylgalactosaminidase 0.0405 0.1143 0.1111
Entamoeba histolytica glycogen phosphorylase, putative 0.0305 0.0736 0.2125
Entamoeba histolytica glycosyl hydrolase, family 31 protein 0.0331 0.0844 0.252
Onchocerca volvulus Glucosylceramidase homolog 0.0522 0.162 0.1946
Onchocerca volvulus Glycogen phosphorylase homolog 0.0705 0.2367 0.2876
Schistosoma mansoni glycogen phosphorylase 0.0705 0.2367 0.2677
Loa Loa (eye worm) trehalase 0.0437 0.1272 0.1272
Echinococcus multilocularis Glycosyl transferase, family 35 0.0705 0.2367 0.2339
Schistosoma mansoni alpha-galactosidase/alpha-n-acetylgalactosaminidase 0.0405 0.1143 0.1272
Trichomonas vaginalis conserved hypothetical protein 0.0653 0.2153 0.4965
Schistosoma mansoni hypothetical protein 0.0187 0.0256 0.0253
Trichomonas vaginalis glucosylceramidase, putative 0.055 0.1734 0.396
Trypanosoma brucei glycosyl hydrolase-like protein 0.0331 0.0844 0.3673
Trichomonas vaginalis glucosylceramidase, putative 0.0522 0.162 0.3686
Loa Loa (eye worm) glycosyl hydrolase family 38 protein 0.0248 0.0503 0.0503
Schistosoma mansoni lysosomal alpha-mannosidase (mannosidase alpha class 2b member 1) 0.0138 0.0058 0.0025
Loa Loa (eye worm) hypothetical protein 0.0942 0.3329 0.3329
Schistosoma mansoni hypothetical protein 0.034 0.0878 0.0968
Trichomonas vaginalis maltase-glucoamylase, putative 0.0674 0.2239 0.5172
Mycobacterium tuberculosis Probable glycogen phosphorylase GlgP 0.0305 0.0736 0.2125
Brugia malayi O-Glycosyl hydrolase family 30 protein 0.0796 0.2734 0.2728
Brugia malayi hypothetical protein 0.0437 0.1272 0.1265
Echinococcus granulosus alpha glucosidase 0.0162 0.0155 0.0119
Trichomonas vaginalis neutral alpha-glucosidase ab precursor, putative 0.0331 0.0844 0.1825
Brugia malayi Alpha amylase, catalytic domain containing protein 0.0162 0.0155 0.0147
Loa Loa (eye worm) trehalase 0.0151 0.011 0.011
Trichomonas vaginalis alpha-glucosidase, putative 0.0331 0.0844 0.1825
Schistosoma mansoni beta-galactosidase 0.0942 0.3329 0.3782
Loa Loa (eye worm) nucleolar RNA-associated protein alpha 0.034 0.0878 0.0878
Loa Loa (eye worm) alpha-L-fucosidase 0.1379 0.5109 0.5109
Onchocerca volvulus Uncharacterized family 31 glucosidase KIAA1161 homolog 0.0331 0.0844 0.0979
Schistosoma mansoni alpha-amylase 0.0162 0.0155 0.0137
Loa Loa (eye worm) amylo-alpha-1,6-glucosidase 0.0274 0.0609 0.0609
Schistosoma mansoni alpha glucosidase 0.0674 0.2239 0.2531
Brugia malayi Alpha-L-fucosidase family protein 0.1379 0.5109 0.5105
Entamoeba histolytica glycosyl hydrolase, family 31 protein 0.0674 0.2239 0.7621
Echinococcus multilocularis beta galactosidase 0.0942 0.3329 0.3305
Onchocerca volvulus Trehalase homolog 0.0437 0.1272 0.1513
Entamoeba histolytica beta-galactosidase, putative 0.0368 0.0991 0.3059
Trypanosoma brucei inosine-adenosine-guanosine-nucleosidehydrolase 0.047 0.1406 0.6222
Schistosoma mansoni alpha-amylase 0.0162 0.0155 0.0137
Trichomonas vaginalis glucosylceramidase, putative 0.0796 0.2734 0.6358
Schistosoma mansoni mannosidase alpha class 2a 0.0138 0.0058 0.0025
Onchocerca volvulus 0.0437 0.1272 0.1513
Loa Loa (eye worm) hypothetical protein 0.0285 0.0656 0.0656
Loa Loa (eye worm) hypothetical protein 0.0151 0.011 0.011
Echinococcus granulosus non lysosomal glucosylceramidase 0.023 0.0432 0.0398
Trypanosoma cruzi hypothetical protein, conserved 0.0674 0.2239 1
Loa Loa (eye worm) TRE-2 protein 0.0437 0.1272 0.1272
Leishmania major alpha glucosidase II subunit, putative 0.0674 0.2239 1
Loa Loa (eye worm) glycogen phosphorylase 0.0705 0.2367 0.2367
Schistosoma mansoni lysosomal alpha-mannosidase (mannosidase alpha class 2b member 1) 0.0174 0.0203 0.0193
Loa Loa (eye worm) glycosyl hydrolase family 2 0.0309 0.0753 0.0753
Trichomonas vaginalis alpha-galactosidase/alpha-N-acetylgalactosaminidase, putative 0.0329 0.0836 0.1806
Schistosoma mansoni alpha-glucosidase 0.2271 0.8743 1
Loa Loa (eye worm) pre-SET domain-containing protein family protein 0.0223 0.0404 0.0404
Brugia malayi Amylo-alpha-1,6-glucosidase family protein 0.0563 0.1785 0.1778
Echinococcus granulosus glycogen debranching enzyme 0.0563 0.1785 0.1756
Brugia malayi Alpha amylase, catalytic domain containing protein 0.0162 0.0155 0.0147
Schistosoma mansoni alpha-galactosidase/alpha-n-acetylgalactosaminidase 0.0329 0.0836 0.0919
Mycobacterium ulcerans alpha-L-fucosidase 0.1745 0.66 1
Toxoplasma gondii glycosyl hydrolase, family 31 protein 0.0674 0.2239 1
Entamoeba histolytica glycosyl hydrolase, family 31 protein 0.064 0.2101 0.7117
Trichomonas vaginalis alpha-glucosidase, putative 0.0674 0.2239 0.5172
Trichomonas vaginalis glycogen phosphorylase, putative 0.0705 0.2367 0.5476
Trypanosoma cruzi inosine-adenosine-guanosine-nucleosidehydrolase, putative 0.047 0.1406 0.5908
Echinococcus multilocularis lysosomal alpha mannosidase 0.0174 0.0203 0.0168
Toxoplasma gondii Amylo-alpha-1,6-glucosidase 0.0563 0.1785 0.5855
Trichomonas vaginalis beta-glucosidase, putative 0.1168 0.4253 1
Brugia malayi hypothetical protein 0.0151 0.011 0.0102
Brugia malayi Trehalase protein 5 0.0151 0.011 0.0102
Brugia malayi Glycosyl hydrolases family 38 protein 0.0138 0.0058 0.005
Entamoeba histolytica alpha-1,2-mannosidase, putative 0.0834 0.289 1
Schistosoma mansoni thyroid hormone receptor 0.0144 0.0079 0.005
Loa Loa (eye worm) glycosyl hydrolase family 31 protein 0.258 1 1
Trichomonas vaginalis alpha-L-fucosidase, putative 0.0605 0.1957 0.4495
Schistosoma mansoni hypothetical protein 0.0723 0.2439 0.2761
Trypanosoma brucei glucosidase, putative 0.0674 0.2239 1
Trichomonas vaginalis alpha-glucosidase, putative 0.0674 0.2239 0.5172
Trichomonas vaginalis beta-galactosidase, putative 0.0653 0.2153 0.4965
Brugia malayi Trehalase family protein 0.0151 0.011 0.0102
Trichomonas vaginalis alpha-mannosidase 2c1, putative 0.0248 0.0503 0.1008
Trichomonas vaginalis alpha-L-fucosidase, putative 0.0605 0.1957 0.4495
Loa Loa (eye worm) alpha amylase 0.0162 0.0155 0.0155
Trypanosoma cruzi glycosyl hydrolase-like protein, putative 0.0331 0.0844 0.3147
Schistosoma mansoni alpha-galactosidase/alpha-n-acetylgalactosaminidase 0.0405 0.1143 0.1272
Loa Loa (eye worm) trehalase 0.0151 0.011 0.011
Echinococcus multilocularis fucosidase, alpha L 1, tissue 0.1745 0.66 0.6588
Loa Loa (eye worm) follicle stimulating hormone receptor 0.0251 0.0517 0.0517
Plasmodium vivax hypothetical protein, conserved 0.03 0.0714 0.5
Loa Loa (eye worm) hypothetical protein 0.0151 0.011 0.011
Brugia malayi lysosomal alpha-mannosidase 0.0138 0.0058 0.005
Loa Loa (eye worm) trehalase 0.0437 0.1272 0.1272
Echinococcus multilocularis transfer RNA-Trp 0.0145 0.0083 0.0047
Loa Loa (eye worm) alpha amylase 0.0162 0.0155 0.0155
Schistosoma mansoni hypothetical protein 0.0187 0.0256 0.0253
Mycobacterium leprae Putative uncharacterized protein ML2045 0.0162 0.0155 0.5
Echinococcus multilocularis endoplasmic reticulum mannosyl oligosaccharide 0.0145 0.0083 0.0047
Entamoeba histolytica glycogen phosphorylase, putative 0.0305 0.0736 0.2125
Echinococcus multilocularis snurportin 1 0.034 0.0878 0.0845
Loa Loa (eye worm) glycosyl hydrolase family 31 protein 0.0674 0.2239 0.2239
Trichomonas vaginalis glucosylceramidase, putative 0.055 0.1734 0.396
Trichomonas vaginalis alpha-glucosidase, putative 0.0331 0.0844 0.1825
Schistosoma mansoni alpha-galactosidase/alpha-n-acetylgalactosaminidase 0.0329 0.0836 0.0919
Echinococcus multilocularis glycogen phosphorylase 0.0705 0.2367 0.2339
Loa Loa (eye worm) hypothetical protein 0.0145 0.0083 0.0083
Echinococcus granulosus glycogen phosphorylase 0.0705 0.2367 0.2339
Loa Loa (eye worm) hypothetical protein 0.0437 0.1272 0.1272
Brugia malayi Melibiase family protein 0.0329 0.0836 0.0828
Loa Loa (eye worm) hypothetical protein 0.0437 0.1272 0.1272
Echinococcus granulosus matrix metallopeptidase 7 M10 family 0.0172 0.0196 0.016
Trichomonas vaginalis glucosylceramidase, putative 0.0796 0.2734 0.6358
Brugia malayi Pre-SET motif family protein 0.0223 0.0404 0.0396
Echinococcus granulosus geminin 0.0187 0.0256 0.0221
Schistosoma mansoni mannosyl-oligosaccharide alpha-12-mannosidase 0.0145 0.0083 0.0054
Loa Loa (eye worm) TRE-1 protein 0.0437 0.1272 0.1272
Loa Loa (eye worm) hypothetical protein 0.0437 0.1272 0.1272
Trichomonas vaginalis glucosylceramidase, putative 0.0796 0.2734 0.6358
Loa Loa (eye worm) hypothetical protein 0.0331 0.0844 0.0844
Trichomonas vaginalis glucosylceramidase, putative 0.0522 0.162 0.3686
Loa Loa (eye worm) hypothetical protein 0.0156 0.0128 0.0128
Trichomonas vaginalis alpha-mannosidase, putative 0.0248 0.0503 0.1008
Brugia malayi hypothetical protein 0.0151 0.011 0.0102
Loa Loa (eye worm) beta-glucuronidase 0.0285 0.0656 0.0656
Entamoeba histolytica glycogen phosphorylase, putative 0.0705 0.2367 0.8086
Trichomonas vaginalis alpha-glucosidase, putative 0.0331 0.0844 0.1825
Schistosoma mansoni alpha-l-fucosidase 0.1379 0.5109 0.5826
Echinococcus granulosus adam 17 protease 0.0245 0.0492 0.0458
Trichomonas vaginalis alpha-glucosidase, putative 0.0331 0.0844 0.1825
Trichomonas vaginalis glucosylceramidase, putative 0.0796 0.2734 0.6358
Trichomonas vaginalis sucrase-isomaltase, putative 0.064 0.2101 0.4841
Echinococcus multilocularis beta mannosidase 0.0164 0.0161 0.0126
Trypanosoma cruzi glycosyl hydrolase-like protein, putative 0.0331 0.0844 0.3147
Trichomonas vaginalis alpha-glucosidase, putative 0.0674 0.2239 0.5172
Trichomonas vaginalis alpha-glucosidase, putative 0.0674 0.2239 0.5172
Loa Loa (eye worm) hypothetical protein 0.0468 0.1402 0.1402
Loa Loa (eye worm) hypothetical protein 0.0329 0.0836 0.0836
Schistosoma mansoni glycogen phosphorylase 0.0305 0.0736 0.0804
Trichomonas vaginalis glucosylceramidase, putative 0.0796 0.2734 0.6358
Mycobacterium ulcerans glycogen phosphorylase GlgP 0.0305 0.0736 0.0902
Trichomonas vaginalis glycogen debranching enzyme, putative 0.0563 0.1785 0.4082
Trichomonas vaginalis glucosylceramidase, putative 0.0522 0.162 0.3686
Loa Loa (eye worm) hypothetical protein 0.0437 0.1272 0.1272
Brugia malayi Trehalase family protein 0.0437 0.1272 0.1265
Echinococcus granulosus beta mannosidase 0.0164 0.0161 0.0126
Echinococcus multilocularis lysosomal alpha glucosidase 0.258 1 1
Schistosoma mansoni bile acid beta-glucosidase-related 0.023 0.0432 0.0456
Loa Loa (eye worm) mannosidase 0.0145 0.0083 0.0083
Echinococcus granulosus mannosyl oligosaccharide 12 alpha mannosidase 0.0145 0.0083 0.0047
Trichomonas vaginalis glucosylceramidase, putative 0.0796 0.2734 0.6358
Trichomonas vaginalis trehalase, putative 0.0437 0.1272 0.2853

Activities

Activity type Activity value Assay description Source Reference
IC50 (binding) = 346 nM Inhibition of Tumor necrosis factor alpha converting enzyme ChEMBL. 11934588
IC50 (binding) = 346 nM Inhibition of Tumor necrosis factor alpha converting enzyme ChEMBL. 11934588
IC50 (binding) = 2377 nM Inhibition of Matrix metalloproteinase-13 activity ChEMBL. 11934588
IC50 (binding) = 2377 nM Inhibition of Matrix metalloproteinase-13 activity ChEMBL. 11934588
IC50 (binding) = 2827 nM Inhibition of Matrix metalloproteinase-9 activity ChEMBL. 11934588
IC50 (binding) = 2827 nM Inhibition of Matrix metalloproteinase-9 activity ChEMBL. 11934588
Inhibition (functional) = 5 % Inhibition of LPS-stimulated TNF-alpha production in THP-1 cells at a concentration of 3 microM ChEMBL. 11934588
Inhibition (functional) = 5 % Inhibition of LPS-stimulated TNF-alpha production in THP-1 cells at a concentration of 3 microM ChEMBL. 11934588
Inhibition (binding) = 21 % Inhibition of Matrix metalloproteinase-1 at 10 uM ChEMBL. 11934588
Inhibition (binding) = 21 % Inhibition of Matrix metalloproteinase-1 at 10 uM ChEMBL. 11934588

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

1 literature reference was collected for this gene.

If you have references for this compound, please enter them in a user comment (below) or Contact us.