Detailed information for compound 342509

Basic information

Technical information
  • TDR Targets ID: 342509
  • Name: 4-(4-but-2-ynoxyphenyl)sulfonyl-N-hydroxythio morpholine-3-carboxamide
  • MW: 370.444 | Formula: C15H18N2O5S2
  • H donors: 2 H acceptors: 4 LogP: 0.98 Rotable bonds: 6
    Rule of 5 violations (Lipinski): 1
  • SMILES: CC#CCOc1ccc(cc1)S(=O)(=O)N1CCSCC1C(=O)NO
  • InChi: 1S/C15H18N2O5S2/c1-2-3-9-22-12-4-6-13(7-5-12)24(20,21)17-8-10-23-11-14(17)15(18)16-19/h4-7,14,19H,8-11H2,1H3,(H,16,18)
  • InChiKey: KQEHQRICYJKJLB-UHFFFAOYSA-N  


Substructure search Similarity search

Network

Hover on a compound node to display the structore

Synonyms

  • 4-(4-but-2-ynoxyphenyl)sulfonylthiomorpholine-3-carbohydroxamic acid
  • 4-(4-but-2-ynoxyphenyl)sulfonyl-3-thiomorpholinecarbohydroxamic acid
  • 4-(4-but-2-ynoxyphenyl)sulfonyl-N-hydroxy-thiomorpholine-3-carboxamide

Targets

Known targets for this compound

Species Target name Source Bibliographic reference
Homo sapiens matrix metallopeptidase 13 (collagenase 3) Starlite/ChEMBL References
Homo sapiens matrix metallopeptidase 9 (gelatinase B, 92kDa gelatinase, 92kDa type IV collagenase) Starlite/ChEMBL References
Homo sapiens matrix metallopeptidase 1 (interstitial collagenase) Starlite/ChEMBL References
Homo sapiens ADAM metallopeptidase domain 17 Starlite/ChEMBL References

Predicted pathogen targets for this compound

By orthology
Species Potential target Known druggable target/s Ortholog Group
Schistosoma mansoni ADAM17 peptidase (M12 family) Get druggable targets OG5_132656 All targets in OG5_132656
Echinococcus granulosus adam 17 protease 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
Echinococcus multilocularis adam 17 protease 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
Loa Loa (eye worm) hypothetical protein 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
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 %
Brugia malayi Matrixin family protein matrix metallopeptidase 1 (interstitial collagenase) 403 aa 401 aa 27.7 %
Obtained from network model

Ranking Plot

Putative Targets List

Species Potential target Raw Global Species
Trichomonas vaginalis DNA polymerase eta, putative 0.0019 0.0034 0.0245
Treponema pallidum exodeoxyribonuclease (exoA) 0.0018 0.0026 0.5
Trypanosoma cruzi DNA polymerase kappa, putative 0.0019 0.0034 0.2605
Entamoeba histolytica acyl-CoA synthetase, putative 0.0023 0.0089 0.0625
Mycobacterium tuberculosis Probable exodeoxyribonuclease III protein XthA (exonuclease III) (EXO III) (AP endonuclease VI) 0.0018 0.0026 0.0277
Trypanosoma brucei DNA polymerase IV, putative 0.0019 0.0034 0.2605
Echinococcus multilocularis DNA (apurinic or apyrimidinic site) lyase 0.0018 0.0026 0.0026
Loa Loa (eye worm) hypothetical protein 0.0074 0.0747 0.1273
Echinococcus granulosus Blood coagulation inhibitor Disintegrin 0.014 0.1605 0.3969
Loa Loa (eye worm) hypothetical protein 0.0145 0.1671 0.2848
Leishmania major DNA polymerase eta, putative 0.0019 0.0034 0.2605
Brugia malayi Niemann-Pick C1 protein precursor 0.0096 0.103 0.4901
Mycobacterium leprae PROBABLE FATTY-ACID-CoA LIGASE FADD2 (FATTY-ACID-CoA SYNTHETASE) (FATTY-ACID-CoA SYNTHASE) 0.0023 0.0089 0.0935
Echinococcus multilocularis adam 17 protease 0.0223 0.2683 0.2683
Trypanosoma brucei cytochrome P450, putative 0.0026 0.013 1
Trypanosoma cruzi DNA polymerase kappa, putative 0.0019 0.0034 0.2605
Trichomonas vaginalis DNA polymerase IV / kappa, putative 0.0019 0.0034 0.0245
Loa Loa (eye worm) hypothetical protein 0.0023 0.0089 0.0152
Brugia malayi CHE-14 protein 0.0041 0.0323 0.1535
Trypanosoma brucei DNA polymerase kappa, putative 0.0019 0.0034 0.2605
Echinococcus granulosus muscleblind protein 0.0145 0.1671 0.4132
Brugia malayi hypothetical protein 0.0035 0.0244 0.1159
Schistosoma mansoni rab geranylgeranyl transferase alpha subunit 0.0019 0.0034 0.0114
Schistosoma mansoni hypothetical protein 0.004 0.0304 0.1027
Echinococcus multilocularis tumor protein p63 0.0328 0.4045 0.4045
Onchocerca volvulus Matrilysin homolog 0.0074 0.0747 0.3609
Mycobacterium tuberculosis Probable fatty-acid-CoA ligase FadD35 (fatty-acid-CoA synthetase) (fatty-acid-CoA synthase) 0.0016 0.0002 0.0017
Trypanosoma brucei DNA polymerase kappa, putative 0.0019 0.0034 0.2605
Entamoeba histolytica hypothetical protein 0.0035 0.0244 0.2164
Loa Loa (eye worm) hypothetical protein 0.0017 0.0005 0.0009
Brugia malayi Disintegrin family protein 0.0022 0.0079 0.0376
Leishmania major 4-coumarate:coa ligase-like protein 0.0023 0.0089 0.6893
Onchocerca volvulus Matrilysin homolog 0.0163 0.1911 1
Trypanosoma cruzi DNA polymerase kappa, putative 0.0019 0.0034 0.2605
Wolbachia endosymbiont of Brugia malayi exonuclease III 0.0018 0.0026 0.5
Echinococcus multilocularis Basic leucine zipper (bZIP) transcription 0.0035 0.0244 0.0244
Brugia malayi ImpB/MucB/SamB family protein 0.0019 0.0034 0.016
Leishmania major 4-coumarate:coa ligase-like protein 0.0023 0.0089 0.6893
Loa Loa (eye worm) hypothetical protein 0.0468 0.5868 1
Loa Loa (eye worm) hypothetical protein 0.0019 0.0034 0.0057
Brugia malayi Cytochrome P450 family protein 0.0038 0.0282 0.1342
Loa Loa (eye worm) hypothetical protein 0.0017 0.0014 0.0024
Brugia malayi Cytochrome P450 family protein 0.0026 0.013 0.0616
Loa Loa (eye worm) hypothetical protein 0.0074 0.0747 0.1273
Echinococcus granulosus tumor protein p63 0.0328 0.4045 1
Loa Loa (eye worm) cytochrome P450 family protein 0.0026 0.013 0.0221
Echinococcus multilocularis adam 0.0039 0.0294 0.0294
Echinococcus granulosus terminal deoxycytidyl transferase rev1 0.0019 0.0034 0.0083
Mycobacterium ulcerans exodeoxyribonuclease III protein XthA 0.0018 0.0026 0.0277
Loa Loa (eye worm) intermediate filament protein 0.0026 0.013 0.0222
Leishmania major 4-coumarate:coa ligase-like protein 0.0023 0.0089 0.6893
Schistosoma mansoni terminal deoxycytidyl transferase 0.0019 0.0034 0.0114
Trypanosoma cruzi apurinic/apyrimidinic endonuclease, putative 0.0018 0.0026 0.2046
Onchocerca volvulus 0.0026 0.013 0.0225
Echinococcus multilocularis protein patched 0.0041 0.0323 0.0323
Brugia malayi Matrixin family protein 0.0074 0.0747 0.3552
Echinococcus granulosus disintegrin and metalloproteinase 0.0022 0.0079 0.0196
Brugia malayi Hemopexin family protein 0.0104 0.1146 0.5453
Schistosoma mansoni hypothetical protein 0.004 0.0304 0.1027
Schistosoma mansoni hypothetical protein 0.0164 0.1924 0.6508
Echinococcus multilocularis leukotriene A 4 hydrolase 0.0244 0.2956 0.2956
Echinococcus multilocularis musashi 0.0026 0.013 0.013
Onchocerca volvulus Matrix metalloproteinase homolog 0.0163 0.1911 1
Echinococcus granulosus dna polymerase kappa 0.0019 0.0034 0.0083
Schistosoma mansoni lamin 0.0026 0.013 0.0441
Trypanosoma brucei unspecified product 0.0019 0.0034 0.2605
Brugia malayi ADAMTS-like protease 0.0017 0.0005 0.0025
Mycobacterium ulcerans long-chain fatty-acid CoA ligase 0.0023 0.0089 0.0935
Brugia malayi Matrixin family protein 0.0074 0.0747 0.3552
Leishmania major DNA polymerase kappa, putative 0.0019 0.0034 0.2605
Trypanosoma brucei DNA polymerase kappa, putative 0.0019 0.0034 0.2605
Brugia malayi ADAM-TS Spacer 1 family protein 0.0017 0.0005 0.0025
Loa Loa (eye worm) hypothetical protein 0.0026 0.0124 0.0211
Mycobacterium ulcerans DNA polymerase IV 0.0019 0.0034 0.0353
Echinococcus multilocularis matrix metallopeptidase 7 (M10 family) 0.0268 0.3267 0.3267
Loa Loa (eye worm) hypothetical protein 0.0017 0.0005 0.0009
Echinococcus multilocularis lamin dm0 0.0026 0.013 0.013
Echinococcus granulosus expressed conserved protein 0.009 0.0955 0.2361
Trypanosoma cruzi cytochrome P450, putative 0.0026 0.013 1
Loa Loa (eye worm) exodeoxyribonuclease III family protein 0.0018 0.0026 0.0045
Loa Loa (eye worm) hypothetical protein 0.009 0.0955 0.1628
Mycobacterium ulcerans fatty-acid-CoA ligase 0.0017 0.0014 0.0145
Echinococcus granulosus sterol regulatory element binding protein 0.0041 0.0323 0.0798
Loa Loa (eye worm) matrixin family protein 0.0178 0.2102 0.3583
Mycobacterium tuberculosis Fatty-acid-AMP ligase FadD30 (fatty-acid-AMP synthetase) (fatty-acid-AMP synthase) 0.0017 0.0014 0.0145
Echinococcus multilocularis guanine nucleotide binding protein G(s) subunit 0.0044 0.0367 0.0367
Schistosoma mansoni subfamily M12B unassigned peptidase (M12 family) 0.0022 0.0079 0.0268
Brugia malayi AMP-binding enzyme family protein 0.0023 0.0089 0.0425
Loa Loa (eye worm) hypothetical protein 0.0017 0.0014 0.0024
Brugia malayi Matrixin family protein 0.0074 0.0747 0.3552
Schistosoma mansoni ADAMTS5 peptidase (M12 family) 0.0105 0.1156 0.3912
Echinococcus multilocularis dna polymerase eta 0.0019 0.0034 0.0034
Mycobacterium tuberculosis Probable chain -fatty-acid-CoA ligase FadD13 (fatty-acyl-CoA synthetase) 0.0023 0.0089 0.0935
Loa Loa (eye worm) hypothetical protein 0.0017 0.0014 0.0024
Trypanosoma brucei DNA polymerase IV, putative 0.0019 0.0034 0.2605
Trypanosoma brucei DNA polymerase kappa, putative 0.0019 0.0034 0.2605
Loa Loa (eye worm) cytochrome P450 family protein 0.0038 0.0282 0.0481
Entamoeba histolytica acyl-CoA synthetase, putative 0.0023 0.0089 0.0625
Echinococcus granulosus Niemann Pick C1 protein 0.0137 0.1562 0.3862
Trypanosoma brucei DNA polymerase IV, putative 0.0019 0.0034 0.2605
Loa Loa (eye worm) hypothetical protein 0.0017 0.0005 0.0009
Mycobacterium ulcerans acyl-CoA synthetase 0.0023 0.0089 0.0935
Mycobacterium leprae PROBABLE FATTY-ACID-CoA LIGASE FADD7 (FATTY-ACID-CoA SYNTHETASE) (FATTY-ACID-CoA SYNTHASE) 0.0023 0.0089 0.0935
Trypanosoma brucei DNA polymerase kappa, putative 0.0019 0.0034 0.2605
Schistosoma mansoni subfamily M12B unassigned peptidase (M12 family) 0.0022 0.0079 0.0268
Schistosoma mansoni hypothetical protein 0.0164 0.1924 0.6508
Echinococcus multilocularis guanine nucleotide binding protein G(s) subunit 0.0044 0.0367 0.0367
Brugia malayi Matrixin family protein 0.0074 0.0747 0.3552
Brugia malayi Cytochrome P450 family protein 0.0026 0.013 0.0616
Schistosoma mansoni patched 1 0.0041 0.0323 0.1091
Echinococcus granulosus lamin dm0 0.0026 0.013 0.0322
Brugia malayi GTP-binding regulatory protein Gs alpha-S chain, putative 0.0044 0.0367 0.1744
Loa Loa (eye worm) reprolysin 0.0022 0.0079 0.0135
Loa Loa (eye worm) hypothetical protein 0.0026 0.013 0.0222
Trypanosoma brucei DNA polymerase kappa, putative 0.0019 0.0034 0.2605
Mycobacterium leprae PROBABLE HYDROLASE 0.009 0.0955 1
Loa Loa (eye worm) hypothetical protein 0.0048 0.0413 0.0705
Loa Loa (eye worm) intermediate filament tail domain-containing protein 0.0026 0.013 0.0222
Echinococcus multilocularis protein dispatched 1 0.0047 0.0398 0.0398
Schistosoma mansoni adam (A disintegrin and metalloprotease 0.0039 0.0294 0.0993
Brugia malayi metalloprotease disintegrin 16 with thrombospondin type I motif 0.0105 0.1156 0.5501
Echinococcus multilocularis geminin 0.0164 0.1924 0.1924
Schistosoma mansoni Guanine nucleotide-binding protein G(s) subunit alpha (Adenylate cyclase-stimulating G alpha protein) 0.0044 0.0367 0.124
Trypanosoma brucei DNA polymerase kappa, putative 0.0019 0.0034 0.2605
Trypanosoma brucei DNA polymerase kappa, putative 0.0019 0.0034 0.2605
Schistosoma mansoni ap endonuclease 0.0018 0.0026 0.009
Brugia malayi exodeoxyribonuclease III family protein 0.0018 0.0026 0.0126
Schistosoma mansoni leukotriene A4 hydrolase (M01 family) 0.0244 0.2956 1
Loa Loa (eye worm) abnormal chemotaxis protein 14 0.0041 0.0323 0.055
Trypanosoma cruzi DNA polymerase kappa, putative 0.0019 0.0034 0.2605
Onchocerca volvulus 0.0074 0.0747 0.3609
Mycobacterium ulcerans acyl-CoA synthetase 0.0023 0.0089 0.0935
Mycobacterium tuberculosis Conserved hypothetical protein 0.0019 0.0034 0.0353
Echinococcus granulosus Protein patched homolog 1 0.0041 0.0323 0.0798
Chlamydia trachomatis acylglycerophosphoethanolamine acyltransferase 0.0017 0.0014 0.5
Loa Loa (eye worm) matrixin family protein 0.0163 0.1911 0.3257
Schistosoma mansoni transcription factor LCR-F1 0.0035 0.0244 0.0824
Mycobacterium ulcerans fatty-acid-CoA ligase 0.0023 0.0089 0.0935
Schistosoma mansoni dihydroceramide desaturase 0.0022 0.0079 0.0268
Echinococcus multilocularis a disintegrin and metalloproteinase with 0.0105 0.1156 0.1156
Leishmania major cytochrome p450-like protein 0.0026 0.013 1
Echinococcus granulosus geminin 0.0164 0.1924 0.4757
Echinococcus granulosus dna polymerase eta 0.0019 0.0034 0.0083
Brugia malayi angiogenesis inhibito 0.0017 0.0005 0.0025
Echinococcus granulosus leukotriene A 4 hydrolase 0.0244 0.2956 0.7309
Schistosoma mansoni niemann-pick C1 (NPC1) 0.0097 0.1049 0.355
Schistosoma mansoni lamin 0.0026 0.013 0.0441
Schistosoma mansoni hypothetical protein 0.004 0.0304 0.1027
Mycobacterium ulcerans hydrolase 0.009 0.0955 1
Brugia malayi Muscleblind-like protein 0.0145 0.1671 0.7951
Brugia malayi Intermediate filament tail domain containing protein 0.0026 0.013 0.062
Plasmodium falciparum AP endonuclease (DNA-[apurinic or apyrimidinic site] lyase), putative 0.0018 0.0026 1
Schistosoma mansoni Guanine nucleotide-binding protein G(s) subunit alpha (Adenylate cyclase-stimulating G alpha protein) 0.0044 0.0367 0.124
Mycobacterium tuberculosis Possible DNA-damage-inducible protein P DinP (DNA polymerase V) (pol IV 2) (DNA nucleotidyltransferase (DNA-directed)) 0.0019 0.0034 0.0353
Echinococcus multilocularis Niemann Pick C1 protein 0.0137 0.1562 0.1562
Schistosoma mansoni hypothetical protein 0.0035 0.0244 0.0824
Schistosoma mansoni matrix metallopeptidase-9 (M10 family) 0.005 0.0439 0.1487
Echinococcus multilocularis muscleblind protein 1 0.0145 0.1671 0.1671
Trypanosoma brucei apurinic/apyrimidinic endonuclease, putative 0.0018 0.0026 0.2046
Mycobacterium ulcerans acyl-CoA synthetase 0.0023 0.0089 0.0935
Schistosoma mansoni DNA polymerase eta 0.0019 0.0034 0.0114
Echinococcus granulosus adam 17 protease 0.0245 0.2971 0.7346
Echinococcus granulosus DNA apurinic or apyrimidinic site lyase 0.0018 0.0026 0.0066
Echinococcus multilocularis sterol regulatory element binding protein 0.0041 0.0323 0.0323
Entamoeba histolytica acyl-coA synthetase, putative 0.0023 0.0089 0.0625
Mycobacterium tuberculosis Probable fatty-acid-CoA ligase FadD3 (fatty-acid-CoA synthetase) (fatty-acid-CoA synthase) 0.0016 0.0002 0.0017
Loa Loa (eye worm) cytochrome P450 family protein 0.0026 0.013 0.0221
Schistosoma mansoni intermediate filament proteins 0.0026 0.013 0.0441
Entamoeba histolytica Niemann-Pick C1 protein, putative 0.0096 0.103 1
Echinococcus granulosus intermediate filament protein 0.0026 0.013 0.0322
Echinococcus granulosus adam 0.0039 0.0294 0.0726
Loa Loa (eye worm) hypothetical protein 0.0023 0.0089 0.0152
Toxoplasma gondii exonuclease III APE 0.0018 0.0026 1
Plasmodium vivax AP endonuclease (DNA-[apurinic or apyrimidinic site] lyase), putative 0.0018 0.0026 1
Brugia malayi hypothetical protein 0.0039 0.0294 0.1396
Trypanosoma cruzi DNA polymerase eta, putative 0.0019 0.0034 0.2605
Loa Loa (eye worm) hypothetical protein 0.0096 0.103 0.1756
Mycobacterium tuberculosis Probable fatty-acid-CoA ligase FadD5 (fatty-acid-CoA synthetase) (fatty-acid-CoA synthase) 0.0016 0.0002 0.0017
Onchocerca volvulus 0.0104 0.1146 0.5802
Brugia malayi intermediate filament protein 0.0026 0.013 0.062
Echinococcus granulosus subfamily M12B unassigned peptidase 0.0022 0.0079 0.0196
Leishmania major DNA polymerase kappa, putative,DNA polymerase IV, putative 0.0019 0.0034 0.2605
Loa Loa (eye worm) hypothetical protein 0.0023 0.0089 0.0152
Loa Loa (eye worm) hypothetical protein 0.0041 0.0323 0.055
Schistosoma mansoni cellular tumor antigen P53 0.0048 0.0413 0.1398
Entamoeba histolytica hypothetical protein 0.0035 0.0244 0.2164
Echinococcus granulosus lamin 0.0026 0.013 0.0322
Echinococcus multilocularis Blood coagulation inhibitor, Disintegrin 0.014 0.1605 0.1605
Schistosoma mansoni hypothetical protein 0.004 0.0304 0.1027
Loa Loa (eye worm) CYP4Cod1 0.0026 0.013 0.0221
Leishmania major apurinic/apyrimidinic endonuclease-redox protein 0.0018 0.0026 0.2046
Mycobacterium ulcerans cytochrome P450 185A4 Cyp185A4 0.0026 0.013 0.1356
Trichomonas vaginalis conserved hypothetical protein 0.0041 0.0323 1
Echinococcus granulosus Niemann Pick C1 protein 0.0096 0.103 0.2547
Mycobacterium tuberculosis Probable peptidoglycan hydrolase 0.009 0.0955 1
Loa Loa (eye worm) hypothetical protein 0.0074 0.0747 0.1273
Echinococcus granulosus Basic leucine zipper bZIP transcription 0.0035 0.0244 0.0603
Trypanosoma brucei DNA polymerase kappa, putative 0.0019 0.0034 0.2605
Loa Loa (eye worm) matrix metalloproteinase 0.0074 0.0747 0.1273
Echinococcus multilocularis terminal deoxycytidyl transferase rev1 0.0019 0.0034 0.0034
Loa Loa (eye worm) hypothetical protein 0.0145 0.1671 0.2848
Entamoeba histolytica hypothetical protein 0.0035 0.0244 0.2164
Loa Loa (eye worm) ImpB/MucB/SamB family protein 0.0019 0.0034 0.0057
Schistosoma mansoni ap endonuclease 0.0018 0.0026 0.009
Mycobacterium ulcerans long-chain-fatty-acid-CoA ligase 0.0023 0.0089 0.0935
Mycobacterium ulcerans hypothetical protein 0.0023 0.0089 0.0935
Echinococcus multilocularis expressed conserved protein 0.009 0.0955 0.0955
Echinococcus multilocularis lamin 0.0026 0.013 0.013
Mycobacterium tuberculosis Probable fatty-acid-CoA ligase FadD7 (fatty-acid-CoA synthetase) (fatty-acid-CoA synthase) 0.0016 0.0002 0.0017
Brugia malayi Matrixin family protein 0.0178 0.2102 1
Loa Loa (eye worm) hypothetical protein 0.0017 0.0014 0.0024
Giardia lamblia DINP protein human, muc B family 0.0019 0.0034 1
Mycobacterium ulcerans long-chain-fatty-acid--CoA ligase 0.0023 0.0089 0.0935
Mycobacterium tuberculosis Probable fatty-acid-CoA ligase FadD2 (fatty-acid-CoA synthetase) (fatty-acid-CoA synthase) 0.0023 0.0089 0.0935
Loa Loa (eye worm) leukotriene A4 hydrolase 0.0244 0.2956 0.5038
Echinococcus multilocularis dna polymerase kappa 0.0019 0.0034 0.0034
Mycobacterium ulcerans DNA polymerase IV 0.0019 0.0034 0.0353
Echinococcus multilocularis subfamily M12B unassigned peptidase 0.0022 0.0079 0.0079
Echinococcus granulosus guanine nucleotide binding protein Gs subunit 0.0044 0.0367 0.0906
Loa Loa (eye worm) GTP-binding regulatory protein Gs alpha-S chain 0.0044 0.0367 0.0625
Echinococcus granulosus matrix metallopeptidase 7 M10 family 0.0268 0.3267 0.8076
Onchocerca volvulus 0.0026 0.013 0.0225
Echinococcus multilocularis muscleblind protein 0.0145 0.1671 0.1671
Brugia malayi hypothetical protein 0.0112 0.1246 0.5928
Trypanosoma brucei DNA polymerase eta, putative 0.0019 0.0034 0.2605
Echinococcus granulosus guanine nucleotide binding protein Gs subunit 0.0044 0.0367 0.0906
Trypanosoma brucei DNA polymerase kappa, putative 0.0019 0.0034 0.2605
Schistosoma mansoni Guanine nucleotide-binding protein G(s) subunit alpha (Adenylate cyclase-stimulating G alpha protein) 0.0044 0.0367 0.124
Schistosoma mansoni hypothetical protein 0.0104 0.1146 0.3877
Trypanosoma cruzi apurinic/apyrimidinic endonuclease 0.0018 0.0026 0.2046
Schistosoma mansoni matrix metallopeptidase-7 (M10 family) 0.0074 0.0747 0.2526
Loa Loa (eye worm) hypothetical protein 0.005 0.0442 0.0754
Brugia malayi AMP-binding enzyme family protein 0.0023 0.0089 0.0425
Brugia malayi ImpB/MucB/SamB family protein 0.0019 0.0034 0.016
Schistosoma mansoni ADAM17 peptidase (M12 family) 0.0223 0.2683 0.9075
Brugia malayi AMP-binding enzyme family protein 0.0023 0.0089 0.0425
Echinococcus granulosus a disintegrin and metalloproteinase with 0.0105 0.1156 0.2859
Loa Loa (eye worm) hypothetical protein 0.0022 0.0079 0.0135
Trypanosoma cruzi cytochrome P450, putative 0.0026 0.013 1
Entamoeba histolytica hypothetical protein 0.0035 0.0244 0.2164
Loa Loa (eye worm) hypothetical protein 0.0017 0.0014 0.0024
Echinococcus multilocularis Niemann Pick C1 protein 0.0096 0.103 0.103
Onchocerca volvulus 0.0048 0.0413 0.1779
Echinococcus multilocularis disintegrin and metalloproteinase 0.0022 0.0079 0.0079
Entamoeba histolytica deoxycytidyl transferase, putative 0.0019 0.0034 0.0072
Brugia malayi Matrix metalloprotease, N-terminal domain containing protein 0.009 0.0955 0.4543

Activities

Activity type Activity value Assay description Source Reference
IC50 (binding) = 3 nM Inhibitory activity against TACE[ADAM metallopeptidase domain 17] in isolated enzyme assay ChEMBL. 16084720
IC50 (binding) = 3 nM Inhibitory activity against TACE[ADAM metallopeptidase domain 17] in isolated enzyme assay ChEMBL. 16084720
IC50 (binding) = 3 nM Inhibition of TACE (unknown origin) using fluorogenic LAQAVRSSSR peptide as a substrate by fluorometric assay ChEMBL. No reference
IC50 (binding) = 12 nM Inhibiory activity against matrix metallopeptidase 13 ChEMBL. 16084720
IC50 (binding) = 12 nM Inhibiory activity against matrix metallopeptidase 13 ChEMBL. 16084720
IC50 (binding) = 21 nM Inhibiory activity against matrix metallopeptidase 9 ChEMBL. 16084720
IC50 (binding) = 21 nM Inhibiory activity against matrix metallopeptidase 9 ChEMBL. 16084720
IC50 (binding) = 148 nM Inhibiory activity against matrix metallopeptidase 1 ChEMBL. 16084720
IC50 (binding) = 148 nM Inhibiory activity against matrix metallopeptidase 1 ChEMBL. 16084720
Inhibition (functional) = 84 % Percentage inhibition of TNF production in LPS-stimulated THP-1 cells ChEMBL. 16084720
Inhibition (functional) = 84 % Percentage inhibition of TNF production in LPS-stimulated THP-1 cells ChEMBL. 16084720

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.

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