Detailed information for compound 1387429

Basic information

Technical information
  • TDR Targets ID: 1387429
  • Name: N-[4-[(4-methoxyphenyl)sulfamoyl]phenyl]-3-[( 4-methylphenyl)sulfonylamino]propanamide
  • MW: 503.591 | Formula: C23H25N3O6S2
  • H donors: 3 H acceptors: 5 LogP: 2.55 Rotable bonds: 11
    Rule of 5 violations (Lipinski): 2
  • SMILES: COc1ccc(cc1)NS(=O)(=O)c1ccc(cc1)NC(=O)CCNS(=O)(=O)c1ccc(cc1)C
  • InChi: 1S/C23H25N3O6S2/c1-17-3-11-21(12-4-17)33(28,29)24-16-15-23(27)25-18-7-13-22(14-8-18)34(30,31)26-19-5-9-20(32-2)10-6-19/h3-14,24,26H,15-16H2,1-2H3,(H,25,27)
  • InChiKey: QVUOMTCXKNUSCN-UHFFFAOYSA-N  


Substructure search Similarity search

Network

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Synonyms

  • N-[4-[(4-methoxyphenyl)sulfamoyl]phenyl]-3-[(4-methylphenyl)sulfonylamino]propionamide
  • SMR000242520
  • ZINC03318327
  • MLS000417320

Targets

Known targets for this compound

Species Target name Source Bibliographic reference
Homo sapiens microtubule-associated protein tau Starlite/ChEMBL No references
Homo sapiens glucagon-like peptide 1 receptor Starlite/ChEMBL No references
Homo sapiens SMAD family member 2 Starlite/ChEMBL No references
Bacillus subtilis (strain 168) ATP-dependent Clp protease proteolytic subunit Starlite/ChEMBL No references

Predicted pathogen targets for this compound

By orthology
Species Potential target Known druggable target/s Ortholog Group
Schistosoma japonicum ko:K06275 parvin, putative Get druggable targets OG5_127187 All targets in OG5_127187
Schistosoma japonicum ko:K04380 microtubule-associated protein tau, putative Get druggable targets OG5_133504 All targets in OG5_133504
Mycobacterium ulcerans ATP-dependent Clp protease proteolytic subunit Get druggable targets OG5_127187 All targets in OG5_127187
Echinococcus granulosus peptidase Clp S14 family Get druggable targets OG5_127187 All targets in OG5_127187
Plasmodium vivax ATP-dependent Clp protease proteolytic subunit, putative Get druggable targets OG5_127187 All targets in OG5_127187
Mycobacterium leprae PROBABLE ATP-DEPENDENT CLP PROTEASE PROTEOLYTIC SUBUNIT 2 CLPP2 (ENDOPEPTIDASE CLP 2) Get druggable targets OG5_127187 All targets in OG5_127187
Plasmodium berghei ATP-dependent Clp protease proteolytic subunit, putative Get druggable targets OG5_127187 All targets in OG5_127187
Echinococcus multilocularis ATP dependent Clp protease proteolytic subunit Get druggable targets OG5_127187 All targets in OG5_127187
Theileria parva ATP-dependent Clp protease proteolytic subunit, putative Get druggable targets OG5_127187 All targets in OG5_127187
Mycobacterium tuberculosis Probable ATP-dependent CLP protease proteolytic subunit 2 ClpP2 (endopeptidase CLP 2) Get druggable targets OG5_127187 All targets in OG5_127187
Echinococcus multilocularis peptidase Clp (S14 family) Get druggable targets OG5_127187 All targets in OG5_127187
Mycobacterium tuberculosis Probable ATP-dependent CLP protease proteolytic subunit 1 ClpP1 (endopeptidase CLP) Get druggable targets OG5_127187 All targets in OG5_127187
Mycobacterium ulcerans ATP-dependent Clp protease proteolytic subunit Get druggable targets OG5_127187 All targets in OG5_127187
Schistosoma mansoni peptidase Clp (S14 family) Get druggable targets OG5_127187 All targets in OG5_127187
Brugia malayi Probable ClpP-like protease Get druggable targets OG5_127187 All targets in OG5_127187
Theileria parva ATP-dependent Clp protease proteolytic subunit, putative Get druggable targets OG5_127187 All targets in OG5_127187
Neospora caninum ATP-dependent Clp protease proteolytic subunit, related Get druggable targets OG5_127187 All targets in OG5_127187
Loa Loa (eye worm) transcription factor SMAD2 Get druggable targets OG5_131716 All targets in OG5_131716
Loa Loa (eye worm) hypothetical protein Get druggable targets OG5_127187 All targets in OG5_127187
Plasmodium knowlesi ATP-dependent Clp protease proteolytic subunit, putative Get druggable targets OG5_127187 All targets in OG5_127187
Treponema pallidum ATP-dependent Clp protease proteolytic subunit Get druggable targets OG5_127187 All targets in OG5_127187
Plasmodium yoelii ATP-dependent Clp protease, proteolytic subunit ClpP, putative Get druggable targets OG5_127187 All targets in OG5_127187
Echinococcus granulosus microtubule associated protein 2 Get druggable targets OG5_133504 All targets in OG5_133504
Schistosoma japonicum ko:K01358 ATP-dependent Clp protease, protease subunit [EC3.4.21.92], putative Get druggable targets OG5_127187 All targets in OG5_127187
Toxoplasma gondii ATP-dependent Clp endopeptidase, proteolytic subunit ClpP domain-containing protein Get druggable targets OG5_127187 All targets in OG5_127187
Mycobacterium leprae PROBABLE ATP-DEPENDENT CLP PROTEASE PROTEOLYTIC SUBUNIT 1 CLPP1 (ENDOPEPTIDASE CLP) Get druggable targets OG5_127187 All targets in OG5_127187
Chlamydia trachomatis ATP-dependent Clp protease proteolytic subunit Get druggable targets OG5_127187 All targets in OG5_127187
Wolbachia endosymbiont of Brugia malayi ATP-dependent Clp protease proteolytic subunit Get druggable targets OG5_127187 All targets in OG5_127187
Chlamydia trachomatis ATP-dependent Clp protease proteolytic subunit Get druggable targets OG5_127187 All targets in OG5_127187
Plasmodium falciparum ATP-dependent Clp protease proteolytic subunit Get druggable targets OG5_127187 All targets in OG5_127187
Brugia malayi MH2 domain containing protein Get druggable targets OG5_131716 All targets in OG5_131716
Echinococcus granulosus ATP dependent Clp protease proteolytic subunit Get druggable targets OG5_127187 All targets in OG5_127187
Toxoplasma gondii ATP-dependent Clp endopeptidase, proteolytic subunit ClpP domain-containing protein Get druggable targets OG5_127187 All targets in OG5_127187
Echinococcus multilocularis microtubule associated protein 2 Get druggable targets OG5_133504 All targets in OG5_133504
Loa Loa (eye worm) MH2 domain-containing protein Get druggable targets OG5_131716 All targets in OG5_131716
Babesia bovis ATP-dependent Clp protease proteolytic subunit 1, putative Get druggable targets OG5_127187 All targets in OG5_127187
Schistosoma mansoni microtubule-associated protein tau Get druggable targets OG5_133504 All targets in OG5_133504
By sequence similarity to non orthologous known druggable targets
Species Potential target Known druggable target Length Alignment span Identity
Babesia bovis ATP-dependent Clp protease proteolytic subunit, putative ATP-dependent Clp protease proteolytic subunit   197 aa 188 aa 41.5 %
Mycobacterium leprae ATP-dependent Clp protease proteolytic subunit 1 ATP-dependent Clp protease proteolytic subunit   197 aa 172 aa 57.0 %
Onchocerca volvulus Putative V-type proton ATPase subunit F ATP-dependent Clp protease proteolytic subunit   197 aa 194 aa 54.1 %
Plasmodium yoelii Clp protease ATP-dependent Clp protease proteolytic subunit   197 aa 183 aa 36.6 %
Chlamydia trachomatis hypothetical protein ATP-dependent Clp protease proteolytic subunit   197 aa 171 aa 22.8 %
Loa Loa (eye worm) pigment dispersing factor receptor c glucagon-like peptide 1 receptor 463 aa 388 aa 25.8 %
Schistosoma mansoni neuropeptide receptor ATP-dependent Clp protease proteolytic subunit   197 aa 174 aa 20.1 %
Babesia bovis ATP-dependent Clp protease proteolytic subunit, putative ATP-dependent Clp protease proteolytic subunit   197 aa 188 aa 41.5 %
Treponema pallidum ATP-dependent Clp protease proteolytic subunit ATP-dependent Clp protease proteolytic subunit   197 aa 186 aa 40.3 %
Plasmodium vivax ATP-dependent Clp protease proteolytic subunit, putative ATP-dependent Clp protease proteolytic subunit   197 aa 189 aa 35.5 %
Plasmodium berghei ATP-dependent Clp protease proteolytic subunit, putative ATP-dependent Clp protease proteolytic subunit   197 aa 180 aa 36.7 %
Plasmodium falciparum ATP-dependent Clp protease proteolytic subunit ATP-dependent Clp protease proteolytic subunit   197 aa 183 aa 36.1 %
Plasmodium knowlesi ATP-dependent Clp protease proteolytic subunit, putative ATP-dependent Clp protease proteolytic subunit   197 aa 189 aa 36.0 %
Brugia malayi MH2 domain containing protein SMAD family member 2 467 aa 405 aa 31.6 %
Obtained from network model

Ranking Plot

Putative Targets List

Species Potential target Raw Global Species
Loa Loa (eye worm) immunoglobulin I-set domain-containing protein 0.0235 0.1902 0.5733
Loa Loa (eye worm) hypothetical protein 0.0186 0.1238 0.3733
Echinococcus granulosus Fibronectin type III 0.0186 0.1238 0.1238
Schistosoma mansoni serine/threonine protein kinase 0.0235 0.1902 0.1902
Loa Loa (eye worm) fibronectin type III domain-containing protein 0.0186 0.1238 0.3733
Echinococcus granulosus neuroglian 0.0285 0.2579 0.2579
Brugia malayi Fibronectin type III domain containing protein 0.034 0.3317 1
Echinococcus multilocularis titin 0.0186 0.1238 0.1238
Brugia malayi Fibronectin type III domain containing protein 0.0186 0.1238 0.3733
Echinococcus granulosus Down syndrome cell adhesion molecule 0.0236 0.1916 0.1916
Echinococcus granulosus tyrosine protein kinase transmembrane receptor 0.0104 0.0125 0.0125
Echinococcus multilocularis Phosphotidylinositol phosphatase PTPRQ 0.0186 0.1238 0.1238
Echinococcus multilocularis contactin neuroglian septate junction protein 0.0285 0.2579 0.2579
Echinococcus granulosus Netrin receptor DCC 0.0186 0.1238 0.1238
Brugia malayi Immunoglobulin I-set domain containing protein 0.0235 0.1902 0.5733
Echinococcus granulosus insulin growth factor 1 receptor beta 0.0241 0.1978 0.1978
Echinococcus multilocularis peroxidasin 0.0099 0.0063 0.0063
Brugia malayi Immunoglobulin I-set domain containing protein 0.0099 0.0063 0.0191
Mycobacterium leprae PROBABLE ATP-DEPENDENT CLP PROTEASE PROTEOLYTIC SUBUNIT 2 CLPP2 (ENDOPEPTIDASE CLP 2) 0.0094 0 0.5
Schistosoma mansoni tripartite motif protein trim9 0.0186 0.1238 0.1238
Schistosoma mansoni tyrosine kinase 0.0154 0.0803 0.0803
Echinococcus granulosus receptor type tyrosine protein phosphatase zeta 0.0186 0.1238 0.1238
Onchocerca volvulus 0.0235 0.1902 1
Schistosoma mansoni Neurotrimin precursor (hNT) 0.0154 0.0801 0.0801
Schistosoma mansoni septate junction protein 0.0099 0.0063 0.0063
Onchocerca volvulus Tyrosine kinase homolog 0.0104 0.0125 0.0338
Echinococcus multilocularis Immunoglobulin 0.0154 0.0801 0.0801
Schistosoma mansoni receptor tyrosine phosphatase type r2a 0.0186 0.1238 0.1238
Loa Loa (eye worm) immunoglobulin I-set domain-containing protein 0.0099 0.0063 0.0191
Loa Loa (eye worm) hypothetical protein 0.0253 0.2142 0.6458
Echinococcus granulosus contactin 0.0285 0.2579 0.2579
Schistosoma mansoni protein tyrosine phosphatase 0.0186 0.1238 0.1238
Brugia malayi Fibronectin type III domain containing protein 0.0186 0.1238 0.3733
Onchocerca volvulus 0.0186 0.1238 0.639
Brugia malayi Fibronectin type III domain containing protein 0.0186 0.1238 0.3733
Brugia malayi Immunoglobulin I-set domain containing protein 0.0235 0.1902 0.5733
Loa Loa (eye worm) hypothetical protein 0.0186 0.1238 0.3733
Schistosoma mansoni hypothetical protein 0.0186 0.1238 0.1238
Chlamydia trachomatis ATP-dependent Clp protease proteolytic subunit 0.0094 0 0.5
Echinococcus granulosus EG95 0.0186 0.1238 0.1238
Echinococcus granulosus roundabout 2 0.0285 0.2579 0.2579
Echinococcus multilocularis neurotracting:lsamp:neurotrimin:obcam 0.0099 0.0063 0.0063
Loa Loa (eye worm) hypothetical protein 0.0099 0.0063 0.0191
Loa Loa (eye worm) hypothetical protein 0.0186 0.1238 0.3733
Brugia malayi Fibronectin type III domain containing protein 0.0186 0.1238 0.3733
Schistosoma mansoni nephrin 0.0285 0.2579 0.2579
Brugia malayi protein unc-22 0.0235 0.1902 0.5733
Toxoplasma gondii ATP-dependent Clp endopeptidase, proteolytic subunit ClpP domain-containing protein 0.0094 0 0.5
Brugia malayi Immunoglobulin I-set domain containing protein 0.0235 0.1902 0.5733
Schistosoma mansoni ephrin receptor 0.0241 0.1978 0.1978
Schistosoma mansoni titin 0.0235 0.1902 0.1902
Echinococcus multilocularis roundabout 2 0.0285 0.2579 0.2579
Echinococcus multilocularis receptor type tyrosine protein phosphatase zeta 0.0186 0.1238 0.1238
Plasmodium falciparum ATP-dependent Clp protease proteolytic subunit 0.0094 0 0.5
Onchocerca volvulus 0.0186 0.1238 0.639
Echinococcus granulosus Phosphotidylinositol phosphatase PTPRQ 0.0186 0.1238 0.1238
Echinococcus granulosus titin 0.0235 0.1902 0.1902
Schistosoma mansoni receptor tyrosine phosphatase type r2a 0.0285 0.2579 0.2579
Echinococcus granulosus G1Y162 protein 0.0186 0.1238 0.1238
Schistosoma mansoni titin 0.0099 0.0063 0.0063
Schistosoma mansoni defective proboscis extension response (dpr)-related 0.0154 0.0801 0.0801
Echinococcus granulosus receptor type tyrosine protein phosphatase 0.0235 0.1902 0.1902
Mycobacterium ulcerans ATP-dependent Clp protease proteolytic subunit 0.0094 0 0.5
Schistosoma mansoni roundabout 0.0099 0.0063 0.0063
Mycobacterium ulcerans ATP-dependent Clp protease proteolytic subunit 0.0094 0 0.5
Echinococcus granulosus cell adhesion molecule 0.0186 0.1238 0.1238
Onchocerca volvulus 0.0186 0.1238 0.639
Echinococcus granulosus roundabout 2 0.0285 0.2579 0.2579
Loa Loa (eye worm) hypothetical protein 0.0186 0.1238 0.3733
Echinococcus multilocularis hemicentin 1 0.0099 0.0063 0.0063
Echinococcus multilocularis fibronectin type III domain-containing protein 0.0186 0.1238 0.1238
Echinococcus multilocularis titin 0.0235 0.1902 0.1902
Brugia malayi Immunoglobulin I-set domain containing protein 0.0099 0.0063 0.0191
Schistosoma mansoni neuroglian 0.0285 0.2579 0.2579
Loa Loa (eye worm) hypothetical protein 0.0186 0.1238 0.3733
Onchocerca volvulus 0.0186 0.1238 0.639
Brugia malayi MH2 domain containing protein 0.0144 0.0673 0.2029
Brugia malayi myotactin form A 0.0186 0.1238 0.3733
Echinococcus granulosus nephrin 0.0235 0.1902 0.1902
Schistosoma mansoni cell adhesion molecule 0.0099 0.0063 0.0063
Loa Loa (eye worm) fibronectin type III domain-containing protein 0.0186 0.1238 0.3733
Loa Loa (eye worm) fibronectin type III domain-containing protein 0.0186 0.1238 0.3733
Schistosoma mansoni cell adhesion molecule 0.0285 0.2579 0.2579
Loa Loa (eye worm) transcription factor SMAD2 0.0144 0.0673 0.2029
Chlamydia trachomatis ATP-dependent Clp protease proteolytic subunit 0.0094 0 0.5
Brugia malayi Protein-tyrosine phosphatase 0.0186 0.1238 0.3733
Echinococcus granulosus Netrin receptor DCC 0.0186 0.1238 0.1238
Brugia malayi Immunoglobulin I-set domain containing protein 0.034 0.3317 1
Echinococcus multilocularis insulin growth factor 1 receptor beta 0.0241 0.1978 0.1978
Trypanosoma brucei Fibronectin type III domain containing protein, putative 0.0186 0.1238 0.5
Brugia malayi Immunoglobulin I-set domain containing protein 0.0099 0.0063 0.0191
Echinococcus multilocularis neuroglian 0.0285 0.2579 0.2579
Loa Loa (eye worm) hypothetical protein 0.0253 0.2142 0.6458
Echinococcus multilocularis Netrin receptor DCC 0.0186 0.1238 0.1238
Echinococcus multilocularis cell adhesion molecule 0.0186 0.1238 0.1238
Brugia malayi Immunoglobulin I-set domain containing protein 0.0235 0.1902 0.5733
Onchocerca volvulus 0.0186 0.1238 0.639
Brugia malayi protein-tyrosine phosphatase Lar-like precursor, putative 0.0186 0.1238 0.3733
Loa Loa (eye worm) hypothetical protein 0.034 0.3317 1
Loa Loa (eye worm) hypothetical protein 0.0154 0.0801 0.2414
Echinococcus multilocularis receptor type tyrosine protein phosphatase protein tyrosine phosphatase receptor type 0.0186 0.1238 0.1238
Loa Loa (eye worm) hypothetical protein 0.0154 0.0801 0.2414
Loa Loa (eye worm) CAMK protein kinase 0.0235 0.1902 0.5733
Echinococcus multilocularis microtubule associated protein 2 0.0833 1 1
Echinococcus granulosus receptor type tyrosine protein phosphatase 0.0186 0.1238 0.1238
Loa Loa (eye worm) immunoglobulin I-set domain-containing protein 0.0099 0.0063 0.0191
Schistosoma mansoni septate junction protein 0.0099 0.0063 0.0063
Echinococcus granulosus peroxidasin 0.0099 0.0063 0.0063
Echinococcus multilocularis roundabout 2 0.0439 0.4658 0.4658
Loa Loa (eye worm) hypothetical protein 0.0235 0.1902 0.5733
Schistosoma mansoni nephrin 0.0389 0.3981 0.3981
Brugia malayi Peroxidasin 0.0099 0.0063 0.0191
Onchocerca volvulus 0.0186 0.1238 0.639
Schistosoma mansoni cell adhesion molecule 0.0285 0.2579 0.2579
Loa Loa (eye worm) hypothetical protein 0.0186 0.1238 0.3733
Loa Loa (eye worm) hypothetical protein 0.0285 0.2579 0.7777
Onchocerca volvulus 0.0186 0.1238 0.639
Echinococcus granulosus anosmin 1 0.0186 0.1238 0.1238
Loa Loa (eye worm) TK protein kinase 0.0104 0.0125 0.0378
Echinococcus granulosus Phosphotidylinositol phosphatase PTPRQ 0.0186 0.1238 0.1238
Schistosoma mansoni myosin-binding protein-related 0.0235 0.1902 0.1902
Plasmodium vivax ATP-dependent Clp protease proteolytic subunit, putative 0.0094 0 0.5
Brugia malayi Immunoglobulin I-set domain containing protein 0.0099 0.0063 0.0191
Onchocerca volvulus 0.0186 0.1238 0.639
Onchocerca volvulus 0.0186 0.1238 0.639
Brugia malayi hypothetical protein 0.0186 0.1238 0.3733
Echinococcus granulosus anosmin 1 0.0186 0.1238 0.1238
Loa Loa (eye worm) fibronectin type III domain-containing protein 0.0186 0.1238 0.3733
Loa Loa (eye worm) hypothetical protein 0.0186 0.1238 0.3733
Schistosoma mansoni hypothetical protein 0.0186 0.1238 0.1238
Echinococcus multilocularis anosmin 1 0.0186 0.1238 0.1238
Echinococcus granulosus titin 0.0235 0.1902 0.1902
Schistosoma mansoni neurotracting/lsamp/neurotrimin/obcam related cell adhesion molecule 0.0099 0.0063 0.0063
Loa Loa (eye worm) myotactin form A 0.0186 0.1238 0.3733
Loa Loa (eye worm) projectin 0.0235 0.1902 0.5733
Loa Loa (eye worm) hypothetical protein 0.034 0.3317 1
Echinococcus multilocularis receptor type tyrosine protein phosphatase F 0.0285 0.2579 0.2579
Echinococcus multilocularis Down syndrome cell adhesion molecule 0.0236 0.1916 0.1916
Trypanosoma cruzi hypothetical protein, conserved 0.0186 0.1238 0.5
Onchocerca volvulus 0.0235 0.1902 1
Echinococcus multilocularis Netrin receptor DCC 0.0186 0.1238 0.1238
Echinococcus granulosus usherin 0.0186 0.1238 0.1238
Leishmania major hypothetical protein, conserved 0.0186 0.1238 0.5
Loa Loa (eye worm) hypothetical protein 0.0186 0.1238 0.3733
Echinococcus multilocularis tyrosine protein kinase transmembrane receptor 0.0104 0.0125 0.0125
Brugia malayi Immunoglobulin I-set domain containing protein 0.0099 0.0063 0.0191
Echinococcus multilocularis roundabout 2 0.0285 0.2579 0.2579
Loa Loa (eye worm) immunoglobulin I-set domain-containing protein 0.0235 0.1902 0.5733
Schistosoma mansoni receptor protein tyrosine phosphatase 0.0186 0.1238 0.1238
Schistosoma mansoni titin 0.0186 0.1238 0.1238
Echinococcus granulosus anosmin 1 0.0186 0.1238 0.1238
Brugia malayi Prion-like- 0.0099 0.0063 0.0191
Brugia malayi Fibronectin type III domain containing protein 0.0186 0.1238 0.3733
Schistosoma mansoni receptor tyrosine phosphatase type r2a 0.0186 0.1238 0.1238
Schistosoma mansoni factor for adipocyte differentiation 0.0186 0.1238 0.1238
Echinococcus multilocularis receptor type tyrosine protein phosphatase 0.0285 0.2579 0.2579
Schistosoma mansoni cell adhesion molecule 0.039 0.3995 0.3995
Loa Loa (eye worm) hypothetical protein 0.0099 0.0063 0.0191
Loa Loa (eye worm) hypothetical protein 0.0204 0.1479 0.4457
Loa Loa (eye worm) hypothetical protein 0.0186 0.1238 0.3733
Brugia malayi myotactin form B 0.0186 0.1238 0.3733
Echinococcus multilocularis tyrosine protein kinase otk 0.0099 0.0063 0.0063
Loa Loa (eye worm) hypothetical protein 0.0099 0.0063 0.0191
Schistosoma mansoni vesicular amine transporter 0.0154 0.0801 0.0801
Loa Loa (eye worm) lethal protein 805 0.0186 0.1238 0.3733
Brugia malayi Immunoglobulin I-set domain containing protein 0.0258 0.2218 0.6688
Loa Loa (eye worm) hypothetical protein 0.0235 0.1902 0.5733
Treponema pallidum ATP-dependent Clp protease proteolytic subunit 0.0094 0 0.5
Loa Loa (eye worm) hypothetical protein 0.0099 0.0063 0.0191
Echinococcus multilocularis hemicentin 1 0.0099 0.0063 0.0063
Echinococcus granulosus roundabout 2 0.0439 0.4658 0.4658
Loa Loa (eye worm) hypothetical protein 0.0099 0.0063 0.0191
Echinococcus multilocularis receptor type tyrosine protein phosphatase 0.0285 0.2579 0.2579
Loa Loa (eye worm) CAMK/MLCK protein kinase 0.0235 0.1902 0.5733
Echinococcus multilocularis Fibronectin, type III 0.0186 0.1238 0.1238
Loa Loa (eye worm) immunoglobulin I-set domain-containing protein 0.0285 0.2579 0.7777
Loa Loa (eye worm) hypothetical protein 0.0186 0.1238 0.3733
Echinococcus granulosus fibronectin type III domain-containing protein 0.0186 0.1238 0.1238
Loa Loa (eye worm) hypothetical protein 0.0154 0.0801 0.2414
Echinococcus granulosus defective proboscis extension response 0.0154 0.0801 0.0801
Brugia malayi Immunoglobulin I-set domain containing protein 0.0285 0.2579 0.7777
Onchocerca volvulus 0.0186 0.1238 0.639
Schistosoma mansoni titin 0.0235 0.1902 0.1902
Loa Loa (eye worm) immunoglobulin I-set domain-containing protein 0.0235 0.1902 0.5733
Echinococcus granulosus Immunoglobulin 0.0154 0.0801 0.0801
Brugia malayi Immunoglobulin I-set domain containing protein 0.0285 0.2579 0.7777
Echinococcus multilocularis anosmin 1 0.0186 0.1238 0.1238
Echinococcus granulosus tyrosine protein kinase otk 0.0099 0.0063 0.0063
Echinococcus multilocularis lachesin 0.0099 0.0063 0.0063
Brugia malayi Immunoglobulin I-set domain containing protein 0.0236 0.1916 0.5776
Loa Loa (eye worm) hypothetical protein 0.0186 0.1238 0.3733
Loa Loa (eye worm) hypothetical protein 0.0186 0.1238 0.3733
Echinococcus multilocularis Receptor type tyrosine protein phosphatase O 0.0186 0.1238 0.1238
Brugia malayi Lethal protein 805 0.0186 0.1238 0.3733
Brugia malayi SPRY domain containing protein 0.0186 0.1238 0.3733
Trypanosoma cruzi Fibronectin type III domain containing protein, putative 0.0186 0.1238 0.5
Echinococcus granulosus neurotracting:lsamp:neurotrimin:obcam 0.0204 0.1479 0.1479
Schistosoma mansoni receptor tyrosine phosphatase type r2a 0.0186 0.1238 0.1238
Schistosoma mansoni factor for adipocyte differentiation 0.0186 0.1238 0.1238
Onchocerca volvulus 0.0235 0.1902 1
Schistosoma mansoni factor for adipocyte differentiation 0.0186 0.1238 0.1238
Loa Loa (eye worm) TK/ROR protein kinase 0.0104 0.0125 0.0378
Toxoplasma gondii ATP-dependent Clp endopeptidase, proteolytic subunit ClpP domain-containing protein 0.0094 0 0.5
Loa Loa (eye worm) hypothetical protein 0.0186 0.1238 0.3733
Echinococcus multilocularis basement membrane specific heparan sulfate 0.0154 0.0801 0.0801
Echinococcus multilocularis Fibronectin type III domain containing protein 0.0186 0.1238 0.1238
Schistosoma mansoni hypothetical protein 0.0235 0.1902 0.1902
Brugia malayi Immunoglobulin I-set domain containing protein 0.0285 0.2579 0.7777
Brugia malayi hypothetical protein 0.034 0.3317 1
Brugia malayi Immunoglobulin I-set domain containing protein 0.0235 0.1902 0.5733
Schistosoma mansoni hemicentin 0.0235 0.1902 0.1902
Brugia malayi Immunoglobulin I-set domain containing protein 0.0235 0.1902 0.5733
Onchocerca volvulus 0.0186 0.1238 0.639
Schistosoma mansoni cell adhesion molecule 0.0235 0.1902 0.1902
Brugia malayi Immunoglobulin I-set domain containing protein 0.0235 0.1902 0.5733
Loa Loa (eye worm) TK/KIN16 protein kinase 0.0258 0.2218 0.6688
Loa Loa (eye worm) hypothetical protein 0.0099 0.0063 0.0191
Echinococcus multilocularis usherin 0.0186 0.1238 0.1238
Echinococcus multilocularis Immunoglobulin 0.0154 0.0801 0.0801
Brugia malayi Immunoglobulin I-set domain containing protein 0.0104 0.0125 0.0378
Schistosoma mansoni cell adhesion molecule 0.0235 0.1902 0.1902
Echinococcus granulosus receptor type tyrosine protein phosphatase 0.0285 0.2579 0.2579
Trypanosoma cruzi Fibronectin type III domain containing protein, putative 0.0186 0.1238 0.5
Echinococcus granulosus twitchin 0.0203 0.1464 0.1464
Schistosoma mansoni microtubule-associated protein tau 0.0833 1 1
Loa Loa (eye worm) immunoglobulin I-set domain-containing protein 0.0236 0.1916 0.5776
Echinococcus granulosus neuroglian 0.0203 0.1464 0.1464
Loa Loa (eye worm) hypothetical protein 0.034 0.3317 1
Echinococcus multilocularis neuroglian 0.0203 0.1464 0.1464
Echinococcus granulosus hemicentin 1 0.0099 0.0063 0.0063
Echinococcus multilocularis anosmin 1 0.0186 0.1238 0.1238
Brugia malayi Immunoglobulin I-set domain containing protein 0.0099 0.0063 0.0191
Brugia malayi Twik (KCNK-like) family of potassium channels, alpha subunit 30. 0.0186 0.1238 0.3733
Loa Loa (eye worm) MH2 domain-containing protein 0.0144 0.0673 0.2029
Brugia malayi Twik (KCNK-like) family of potassium channels, alpha subunit 32 0.0186 0.1238 0.3733
Echinococcus multilocularis transfer RNA-Phe 0.0235 0.1902 0.1902
Loa Loa (eye worm) hypothetical protein 0.0186 0.1238 0.3733
Brugia malayi Lethal protein 805 0.0186 0.1238 0.3733
Echinococcus granulosus Fibronectin type III domain containing protein 0.0186 0.1238 0.1238
Loa Loa (eye worm) hypothetical protein 0.0099 0.0063 0.0191
Loa Loa (eye worm) UNCoordinated family member 0.0186 0.1238 0.3733
Wolbachia endosymbiont of Brugia malayi ATP-dependent Clp protease proteolytic subunit 0.0094 0 0.5
Echinococcus granulosus lachesin 0.0099 0.0063 0.0063
Loa Loa (eye worm) CAMK/MLCK protein kinase 0.0285 0.2579 0.7777
Loa Loa (eye worm) hypothetical protein 0.0186 0.1238 0.3733

Activities

Activity type Activity value Assay description Source Reference
Potency (functional) 0.8913 uM PUBCHEM_BIOASSAY: qHTS for Inhibitors of TGF-b. (Class of assay: confirmatory) [Related pubchem assays (depositor defined):AID588856, AID588860] ChEMBL. No reference
Potency (functional) 14.1254 uM PubChem BioAssay. qHTS of GLP-1 Receptor Inverse Agonists (Inhibition Mode). (Class of assay: confirmatory) ChEMBL. No reference
Potency (functional) 15.8489 uM PUBCHEM_BIOASSAY: qHTS for Inhibitors of binding or entry into cells for Lassa Virus. (Class of assay: confirmatory) [Related pubchem assays (depositor defined):AID463114, AID540249] ChEMBL. No reference
Potency (functional) = 17.7828 um PUBCHEM_BIOASSAY: Counterscreen qHTS for Inhibitors of Tau Fibril Formation, Fluorescence Polarization. This assay monitors tau fibrillation by fluorescence polarization (FP) of Alexa 594-labeled K18 P301L, which does not fibrillize readily but incorporates into growing filaments of unlabeled tau. (Class of assay: confirmatory) [Related pubchem assays: 596 ] ChEMBL. No reference
Potency (functional) 19.9526 uM PubChem BioAssay. qHTS Assay for Activators of ClpP. (Class of assay: confirmatory) ChEMBL. No reference
Potency (functional) = 25.1189 um PUBCHEM_BIOASSAY: qHTS Assay for Inhibitors of Aldehyde Dehydrogenase 1 (ALDH1A1). (Class of assay: confirmatory) [Related pubchem assays: 1030 (qHTS Validation Assay for Inhibitors of aldehyde dehydrogenase 1 (ALDH1A1))] ChEMBL. No reference
Potency (functional) 29.0929 uM PUBCHEM_BIOASSAY: Nrf2 qHTS screen for inhibitors. (Class of assay: confirmatory) [Related pubchem assays (depositor defined):AID493153, AID493163, AID504648] ChEMBL. No reference
Potency (functional) 31.6228 uM PubChem BioAssay. qHTS for Antagonist of cAMP-regulated guanine nucleotide exchange factor 2 (EPAC2): primary screen. (Class of assay: confirmatory) ChEMBL. No reference
Potency (functional) = 44.6684 um PUBCHEM_BIOASSAY: qHTS Assay for Inhibitors of Human alpha-Glucosidase as a Potential Chaperone Treatment of Pompe Disease. (Class of assay: confirmatory) [Related pubchem assays: 997 ] ChEMBL. No reference
Potency (functional) = 44.6684 um PUBCHEM_BIOASSAY: qHTS Assay for Activators of Human alpha-Glucosidase as a Potential Chaperone Treatment of Pompe Disease. (Class of assay: confirmatory) [Related pubchem assays: 1467, 2100, 2112, 1473, 1466 ] ChEMBL. No reference

Phenotypes

Whole-cell/tissue/organism interactions

Species name Source Reference Is orphan
Homo sapiens 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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