Detailed information for compound 821276

Basic information

Technical information
  • TDR Targets ID: 821276
  • Name: 2-(methyl-(thiophene-2-carbonyl)amino)benzoic acid
  • MW: 261.296 | Formula: C13H11NO3S
  • H donors: 1 H acceptors: 3 LogP: 2.48 Rotable bonds: 4
    Rule of 5 violations (Lipinski): 1
  • SMILES: O=C(N(c1ccccc1C(=O)O)C)c1cccs1
  • InChi: 1S/C13H11NO3S/c1-14(12(15)11-7-4-8-18-11)10-6-3-2-5-9(10)13(16)17/h2-8H,1H3,(H,16,17)
  • InChiKey: SAPHZHILWQDBSB-UHFFFAOYSA-N  


Substructure search Similarity search

Network

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Synonyms

  • 2-[methyl-[oxo-(2-thienyl)methyl]amino]benzoic acid
  • 2-(methyl-thiophen-2-ylcarbonyl-amino)benzoic acid
  • IVK/9100258
  • Oprea1_203265
  • SMR000102089
  • MLS000105208
  • BIM-0015724.P001
  • CBMicro_015779

Targets

Known targets for this compound

Species Target name Source Bibliographic reference
Bacillus subtilis (strain 168) ATP-dependent Clp protease proteolytic subunit Starlite/ChEMBL No references
Homo sapiens APEX nuclease (multifunctional DNA repair enzyme) 1 Starlite/ChEMBL No references
Homo sapiens lysine (K)-specific demethylase 4E Starlite/ChEMBL No references
Homo sapiens huntingtin Starlite/ChEMBL No references
Homo sapiens hydroxysteroid (17-beta) dehydrogenase 10 Starlite/ChEMBL No references

Predicted pathogen targets for this compound

By orthology
Species Potential target Known druggable target/s Ortholog Group
Neospora caninum hypothetical protein Get druggable targets OG5_126768 All targets in OG5_126768
Mycobacterium ulcerans short-chain type dehydrogenase/reductase Get druggable targets OG5_129031 All targets in OG5_129031
Schistosoma japonicum ko:K10772 AP endonuclease 2, putative Get druggable targets OG5_126768 All targets in OG5_126768
Mycobacterium leprae PROBABLE ATP-DEPENDENT CLP PROTEASE PROTEOLYTIC SUBUNIT 1 CLPP1 (ENDOPEPTIDASE CLP) 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
Trypanosoma cruzi apurinic/apyrimidinic endonuclease Get druggable targets OG5_126768 All targets in OG5_126768
Trichomonas vaginalis ap endonuclease, putative Get druggable targets OG5_126768 All targets in OG5_126768
Echinococcus granulosus DNA apurinic or apyrimidinic site lyase Get druggable targets OG5_126768 All targets in OG5_126768
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 short-chain type dehydrogenase/reductase Get druggable targets OG5_129031 All targets in OG5_129031
Cryptosporidium hominis dna-(apurinic or apyrimidinic site) lyase Get druggable targets OG5_126768 All targets in OG5_126768
Candida albicans similar to S. cerevisiae APN2 (YBL019W) DNA repair apurinic/apyrimidinic endonuclease Get druggable targets OG5_126768 All targets in OG5_126768
Onchocerca volvulus Huntingtin homolog Get druggable targets OG5_132837 All targets in OG5_132837
Neospora caninum ATP-dependent Clp protease proteolytic subunit, related Get druggable targets OG5_127187 All targets in OG5_127187
Theileria parva hypothetical protein Get druggable targets OG5_126768 All targets in OG5_126768
Brugia malayi Probable ClpP-like protease Get druggable targets OG5_127187 All targets in OG5_127187
Leishmania infantum 3-oxoacyl-(acyl-carrier protein) reductase, putative Get druggable targets OG5_129031 All targets in OG5_129031
Cryptosporidium hominis scully CG7113-PA Get druggable targets OG5_129031 All targets in OG5_129031
Entamoeba histolytica exodeoxyribonuclease III, putative Get druggable targets OG5_126768 All targets in OG5_126768
Echinococcus multilocularis 3 hydroxyacyl coenzyme A dehydrogenase type 2 Get druggable targets OG5_129031 All targets in OG5_129031
Leishmania mexicana apurinic/apyrimidinic endonuclease-redox protein,AP-endonuclease Get druggable targets OG5_126768 All targets in OG5_126768
Brugia malayi hypothetical protein Get druggable targets OG5_132837 All targets in OG5_132837
Plasmodium vivax AP endonuclease (DNA-[apurinic or apyrimidinic site] lyase), putative Get druggable targets OG5_126768 All targets in OG5_126768
Plasmodium vivax ATP-dependent Clp protease proteolytic subunit, putative Get druggable targets OG5_127187 All targets in OG5_127187
Leishmania infantum apurinic/apyrimidinic endonuclease-redox protein Get druggable targets OG5_126768 All targets in OG5_126768
Babesia bovis ATP-dependent Clp protease proteolytic subunit 1, putative 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
Leishmania mexicana 3-oxoacyl-(acyl-carrier protein) reductase, putative Get druggable targets OG5_129031 All targets in OG5_129031
Schistosoma mansoni ap endonuclease Get druggable targets OG5_126768 All targets in OG5_126768
Leishmania braziliensis 3-oxoacyl-(acyl-carrier protein) reductase, putative Get druggable targets OG5_129031 All targets in OG5_129031
Schistosoma japonicum ko:K06275 parvin, putative 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
Mycobacterium tuberculosis Probable exodeoxyribonuclease III protein XthA (exonuclease III) (EXO III) (AP endonuclease VI) Get druggable targets OG5_126768 All targets in OG5_126768
Leishmania major apurinic/apyrimidinic endonuclease-redox protein Get druggable targets OG5_126768 All targets in OG5_126768
Schistosoma japonicum DNA-(apurinic or apyrimidinic site) lyase 2, putative Get druggable targets OG5_126768 All targets in OG5_126768
Cryptosporidium parvum conserved hypothetical protein Get druggable targets OG5_126768 All targets in OG5_126768
Mycobacterium tuberculosis Probable ATP-dependent CLP protease proteolytic subunit 2 ClpP2 (endopeptidase CLP 2) 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
Echinococcus granulosus ATP dependent Clp protease proteolytic subunit Get druggable targets OG5_127187 All targets in OG5_127187
Leishmania braziliensis apurinic/apyrimidinic endonuclease-redox protein Get druggable targets OG5_126768 All targets in OG5_126768
Echinococcus multilocularis DNA (apurinic or apyrimidinic site) lyase Get druggable targets OG5_126768 All targets in OG5_126768
Toxoplasma gondii exonuclease III APE Get druggable targets OG5_126768 All targets in OG5_126768
Mycobacterium ulcerans ATP-dependent Clp protease proteolytic subunit Get druggable targets OG5_127187 All targets in OG5_127187
Schistosoma mansoni 3-hydroxyacyl-CoA dehydrogenase Get druggable targets OG5_129031 All targets in OG5_129031
Chlamydia trachomatis ATP-dependent Clp protease proteolytic subunit Get druggable targets OG5_127187 All targets in OG5_127187
Schistosoma japonicum ko:K10771 AP endonuclease 1, putative Get druggable targets OG5_126768 All targets in OG5_126768
Plasmodium falciparum ATP-dependent Clp protease proteolytic subunit Get druggable targets OG5_127187 All targets in OG5_127187
Echinococcus granulosus 3 hydroxyacyl coenzyme A dehydrogenase type 2 Get druggable targets OG5_129031 All targets in OG5_129031
Echinococcus granulosus peptidase Clp S14 family Get druggable targets OG5_127187 All targets in OG5_127187
Plasmodium berghei AP endonuclease (DNA-[apurinic or apyrimidinic site] lyase), putative Get druggable targets OG5_126768 All targets in OG5_126768
Echinococcus multilocularis peptidase Clp (S14 family) 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
Plasmodium falciparum AP endonuclease (DNA-[apurinic or apyrimidinic site] lyase), putative Get druggable targets OG5_126768 All targets in OG5_126768
Toxoplasma gondii ATP-dependent Clp endopeptidase, proteolytic subunit ClpP domain-containing protein Get druggable targets OG5_127187 All targets in OG5_127187
Trypanosoma brucei gambiense apurinic/apyrimidinic endonuclease, putative Get druggable targets OG5_126768 All targets in OG5_126768
Loa Loa (eye worm) hypothetical protein Get druggable targets OG5_127187 All targets in OG5_127187
Candida albicans similar to S. cerevisiae APN2 (YBL019W) DNA repair apurinic/apyrimidinic endonuclease Get druggable targets OG5_126768 All targets in OG5_126768
Brugia malayi 3-hydroxyacyl-CoA dehydrogenase type II Get druggable targets OG5_129031 All targets in OG5_129031
Trichomonas vaginalis ap endonuclease, putative Get druggable targets OG5_126768 All targets in OG5_126768
Wolbachia endosymbiont of Brugia malayi exonuclease III Get druggable targets OG5_126768 All targets in OG5_126768
Plasmodium knowlesi ATP-dependent Clp protease proteolytic subunit, putative 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
Plasmodium knowlesi AP endonuclease (DNA-[apurinic or apyrimidinic site] lyase), putative Get druggable targets OG5_126768 All targets in OG5_126768
Plasmodium yoelii ATP-dependent Clp protease, proteolytic subunit ClpP, putative Get druggable targets OG5_127187 All targets in OG5_127187
Schistosoma japonicum DNA-(apurinic or apyrimidinic site) lyase 2, putative Get druggable targets OG5_126768 All targets in OG5_126768
Trypanosoma congolense apurinic/apyrimidinic endonuclease, putative Get druggable targets OG5_126768 All targets in OG5_126768
Toxoplasma gondii ATP-dependent Clp endopeptidase, proteolytic subunit ClpP domain-containing protein Get druggable targets OG5_127187 All targets in OG5_127187
Mycobacterium tuberculosis Probable short-chain type dehydrogenase/reductase Get druggable targets OG5_129031 All targets in OG5_129031
Mycobacterium ulcerans exodeoxyribonuclease III protein XthA Get druggable targets OG5_126768 All targets in OG5_126768
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
Brugia malayi exodeoxyribonuclease III family protein Get druggable targets OG5_126768 All targets in OG5_126768
Mycobacterium leprae PROBABLE ATP-DEPENDENT CLP PROTEASE PROTEOLYTIC SUBUNIT 2 CLPP2 (ENDOPEPTIDASE CLP 2) Get druggable targets OG5_127187 All targets in OG5_127187
Cryptosporidium parvum scully CG7113-PA, putative Get druggable targets OG5_129031 All targets in OG5_129031
Leishmania major 3-oxoacyl-(acyl-carrier protein) reductase, putative Get druggable targets OG5_129031 All targets in OG5_129031
Loa Loa (eye worm) hypothetical protein Get druggable targets OG5_132837 All targets in OG5_132837
Loa Loa (eye worm) exodeoxyribonuclease III family protein Get druggable targets OG5_126768 All targets in OG5_126768
Schistosoma mansoni ap endonuclease Get druggable targets OG5_126768 All targets in OG5_126768
Giardia lamblia Endonuclease/Exonuclease/phosphatase Get druggable targets OG5_126768 All targets in OG5_126768
Trypanosoma cruzi apurinic/apyrimidinic endonuclease, putative Get druggable targets OG5_126768 All targets in OG5_126768
Onchocerca volvulus Huntingtin homolog Get druggable targets OG5_132837 All targets in OG5_132837
Loa Loa (eye worm) hypothetical protein Get druggable targets OG5_132837 All targets in OG5_132837
Schistosoma japonicum ko:K00022 3-hydroxyacyl-CoA dehydrogenase [EC1.1.1.35], putative Get druggable targets OG5_129031 All targets in OG5_129031
Treponema pallidum exodeoxyribonuclease (exoA) Get druggable targets OG5_126768 All targets in OG5_126768
Leishmania donovani 3-oxoacyl-(acyl-carrier protein) reductase, putative Get druggable targets OG5_129031 All targets in OG5_129031
Mycobacterium ulcerans ATP-dependent Clp protease proteolytic subunit 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
Trypanosoma brucei apurinic/apyrimidinic endonuclease, putative Get druggable targets OG5_126768 All targets in OG5_126768
Plasmodium yoelii putative AP endonuclease-related Get druggable targets OG5_126768 All targets in OG5_126768
Loa Loa (eye worm) 3-hydroxyacyl-CoA dehydrogenase type II Get druggable targets OG5_129031 All targets in OG5_129031
Wolbachia endosymbiont of Brugia malayi ATP-dependent Clp protease proteolytic subunit Get druggable targets OG5_127187 All targets in OG5_127187
Leishmania donovani apurinic/apyrimidinic endonuclease-redox protein Get druggable targets OG5_126768 All targets in OG5_126768
By sequence similarity to non orthologous known druggable targets
Species Potential target Known druggable target Length Alignment span Identity
Schistosoma mansoni neuropeptide receptor ATP-dependent Clp protease proteolytic subunit   197 aa 174 aa 20.1 %
Plasmodium yoelii Clp protease ATP-dependent Clp protease proteolytic subunit   197 aa 183 aa 36.6 %
Babesia bovis ATP-dependent Clp protease proteolytic subunit, putative ATP-dependent Clp protease proteolytic subunit   197 aa 188 aa 41.5 %
Plasmodium knowlesi ATP-dependent Clp protease proteolytic subunit, putative ATP-dependent Clp protease proteolytic subunit   197 aa 189 aa 36.0 %
Chlamydia trachomatis hypothetical protein ATP-dependent Clp protease proteolytic subunit   197 aa 171 aa 22.8 %
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 %
Babesia bovis ATP-dependent Clp protease proteolytic subunit, putative ATP-dependent Clp protease proteolytic subunit   197 aa 188 aa 41.5 %
Plasmodium berghei ATP-dependent Clp protease proteolytic subunit, putative ATP-dependent Clp protease proteolytic subunit   197 aa 180 aa 36.7 %
Plasmodium falciparum 3-oxoacyl-[acyl-carrier-protein] reductase hydroxysteroid (17-beta) dehydrogenase 10 252 aa 251 aa 24.7 %
Plasmodium falciparum ATP-dependent Clp protease proteolytic subunit ATP-dependent Clp protease proteolytic subunit   197 aa 183 aa 36.1 %
Plasmodium vivax ATP-dependent Clp protease proteolytic subunit, putative ATP-dependent Clp protease proteolytic subunit   197 aa 189 aa 35.5 %
Treponema pallidum ATP-dependent Clp protease proteolytic subunit ATP-dependent Clp protease proteolytic subunit   197 aa 186 aa 40.3 %
Obtained from network model

Ranking Plot

Putative Targets List

Species Potential target Raw Global Species
Echinococcus multilocularis cathepsin b 0.0169 0.4703 1
Echinococcus multilocularis cathepsin b 0.0169 0.4703 1
Trypanosoma brucei cysteine peptidase, Clan CA, family C1, Cathepsin L-like 0.0057 0.1091 0.8593
Onchocerca volvulus 0.0057 0.1091 0.0582
Mycobacterium ulcerans short-chain type dehydrogenase/reductase 0.0069 0.1495 0.6492
Echinococcus multilocularis cysteine protease 0.0057 0.1091 0.2319
Schistosoma mansoni cathepsin D (A01 family) 0.0167 0.4646 0.9878
Echinococcus granulosus Transcription factor JmjC domain containing protein 0.0071 0.1551 0.3298
Echinococcus multilocularis Transcription factor, JmjC domain containing protein 0.0071 0.1551 0.3298
Echinococcus granulosus cathepsin l cysteine peptidase 0.0057 0.1091 0.2319
Entamoeba histolytica cysteine protease, putative 0.0032 0.0283 0.2594
Trypanosoma brucei cysteine peptidase, Clan CA, family C1, Cathepsin L-like 0.0032 0.0283 0.2229
Brugia malayi Papain family cysteine protease containing protein 0.0057 0.1091 0.1091
Echinococcus multilocularis peptidase Clp (S14 family) 0.0062 0.1258 0.2675
Entamoeba histolytica cysteine protease, putative 0.0032 0.0283 0.2594
Trypanosoma brucei cysteine peptidase, Clan CA, family C1, Cathepsin L-like 0.0057 0.1091 0.8593
Brugia malayi Probable ClpP-like protease 0.0094 0.2303 0.2303
Loa Loa (eye worm) hypothetical protein 0.0169 0.4703 0.4703
Echinococcus granulosus peptidase Clp S14 family 0.0062 0.1258 0.2675
Schistosoma mansoni SmCL2-like peptidase (C01 family) 0.0032 0.0283 0.0602
Trypanosoma brucei cysteine peptidase, Clan CA, family C1, Cathepsin L-like 0.0057 0.1091 0.8593
Brugia malayi Cathepsin L-like precursor 0.0057 0.1091 0.1091
Leishmania major cathepsin L-like protease 0.0057 0.1091 0.7296
Plasmodium vivax unspecified product 0.0032 0.0283 0.1229
Echinococcus multilocularis cathepsin l cysteine peptidase 0.0057 0.1091 0.2319
Plasmodium vivax plasmepsin IV, putative 0.0057 0.1094 0.475
Brugia malayi Cathepsin L-like precursor 0.0057 0.1091 0.1091
Loa Loa (eye worm) hypothetical protein 0.004 0.054 0.054
Brugia malayi cathepsin B-like cysteine proteinase 0.0169 0.4703 0.4703
Loa Loa (eye worm) cysteine protease 0.0057 0.1091 0.1091
Trichomonas vaginalis Clan CA, family C1, cathepsin L-like cysteine peptidase 0.0057 0.1091 0.8593
Toxoplasma gondii aspartyl protease ASP1 0.0057 0.1094 0.475
Loa Loa (eye worm) hypothetical protein 0.0334 1 1
Plasmodium falciparum cysteine proteinase falcipain 2b 0.0057 0.1091 0.4737
Entamoeba histolytica cysteine proteinase, putative 0.004 0.054 0.495
Treponema pallidum ATP-dependent Clp protease proteolytic subunit 0.0094 0.2303 1
Trichomonas vaginalis Clan CA, family C1, cathepsin L-like cysteine peptidase 0.0057 0.1091 0.8593
Echinococcus granulosus lysine specific demethylase 5A 0.0071 0.1551 0.3298
Trichomonas vaginalis Clan CA, family C1, cathepsin L-like cysteine peptidase 0.0057 0.1091 0.8593
Onchocerca volvulus Huntingtin homolog 0.0148 0.4021 0.368
Onchocerca volvulus Huntingtin homolog 0.0148 0.4021 0.368
Loa Loa (eye worm) ctsf protein 0.0057 0.1091 0.1091
Trichomonas vaginalis Clan CA, family C1, cathepsin L-like cysteine peptidase 0.0057 0.1091 0.8593
Brugia malayi jmjC domain containing protein 0.0071 0.1551 0.1551
Trypanosoma cruzi cysteine peptidase C (CPC), putative 0.0169 0.4703 1
Plasmodium falciparum plasmepsin I 0.0057 0.1094 0.475
Plasmodium vivax ATP-dependent Clp protease proteolytic subunit, putative 0.0033 0.0315 0.137
Mycobacterium leprae PROBABLE ATP-DEPENDENT CLP PROTEASE PROTEOLYTIC SUBUNIT 1 CLPP1 (ENDOPEPTIDASE CLP) 0.0062 0.1258 0.4744
Mycobacterium tuberculosis Probable short-chain type dehydrogenase/reductase 0.0069 0.1495 1
Trypanosoma cruzi cysteine peptidase, clan CA, family C1, cathepsin L-like, putative 0.004 0.054 0.1148
Onchocerca volvulus 0.0057 0.1091 0.0582
Plasmodium vivax vivapain-3 0.0032 0.0283 0.1229
Trichomonas vaginalis Clan CA, family C1, papain-like cysteine peptidase 0.0057 0.1091 0.8593
Trichomonas vaginalis Clan CA, family C1, papain-like cysteine peptidase 0.0057 0.1091 0.8593
Loa Loa (eye worm) 3-hydroxyacyl-CoA dehydrogenase type II 0.0065 0.1345 0.1345
Trichomonas vaginalis Clan CA, family C1, cathepsin L-like cysteine peptidase 0.0057 0.1091 0.8593
Trichomonas vaginalis Clan AA, family A1, cathepsin D-like aspartic peptidase 0.0057 0.1094 0.8616
Plasmodium vivax vivapain-2 0.0057 0.1091 0.4737
Onchocerca volvulus 0.0057 0.1091 0.0582
Echinococcus multilocularis 3 hydroxyacyl coenzyme A dehydrogenase type 2 0.0069 0.1495 0.3179
Trichomonas vaginalis Clan CA, family C1, cathepsin L-like cysteine peptidase 0.004 0.054 0.4253
Echinococcus granulosus cathepsin b 0.0169 0.4703 1
Plasmodium falciparum plasmepsin IV 0.0057 0.1094 0.475
Loa Loa (eye worm) hypothetical protein 0.0057 0.1091 0.1091
Schistosoma mansoni cathepsin F (C01 family) 0.0057 0.1091 0.2319
Giardia lamblia Cathepsin B precursor 0.0062 0.127 1
Plasmodium falciparum ATP-dependent Clp protease proteolytic subunit 0.0033 0.0315 0.137
Leishmania major cysteine peptidase A (CPA) 0.0057 0.1091 0.7296
Leishmania major cathepsin L-like protease 0.0057 0.1091 0.7296
Trypanosoma cruzi cysteine proteinase, putative 0.0032 0.0283 0.0602
Echinococcus multilocularis cathepsin l cysteine peptidase 0.0057 0.1091 0.2319
Schistosoma mansoni SmCL2-like peptidase (C01 family) 0.0032 0.0283 0.0602
Brugia malayi cathepsin L-like precursor 0.004 0.054 0.054
Mycobacterium tuberculosis Probable ATP-dependent CLP protease proteolytic subunit 2 ClpP2 (endopeptidase CLP 2) 0.0062 0.1258 0.8416
Schistosoma mansoni cathepsin F (C01 family) 0.0057 0.1091 0.2319
Trichomonas vaginalis Clan CA, family C1, papain-like cysteine peptidase 0.0057 0.1091 0.8593
Toxoplasma gondii cathepsin B 0.0062 0.127 0.5513
Toxoplasma gondii aspartyl proteinase (eimepsin), putative 0.0057 0.1094 0.475
Plasmodium vivax aspartyl proteinase, putative 0.0057 0.1094 0.475
Schistosoma mansoni cathepsin B-like peptidase (C01 family) 0.0169 0.4703 1
Echinococcus granulosus ATP dependent Clp protease proteolytic subunit 0.0094 0.2303 0.4896
Leishmania major cathepsin L-like protease 0.0057 0.1091 0.7296
Schistosoma mansoni cathepsin F (C01 family) 0.004 0.054 0.1148
Entamoeba histolytica cysteine proteinase 2 0.0032 0.0283 0.2594
Entamoeba histolytica cysteine proteinase, putative 0.0032 0.0283 0.2594
Echinococcus multilocularis cysteine protease 0.0057 0.1091 0.2319
Trichomonas vaginalis Clan CA, family C1, cathepsin L-like cysteine peptidase 0.004 0.054 0.4253
Brugia malayi Papain family cysteine protease containing protein 0.0032 0.0283 0.0283
Toxoplasma gondii hypothetical protein 0.0033 0.0315 0.137
Entamoeba histolytica cysteine protease, putative 0.0032 0.0283 0.2594
Onchocerca volvulus Cathepsin L homolog 0.0057 0.1091 0.0582
Trypanosoma brucei cysteine peptidase, Clan CA, family C1, Cathepsin L-like 0.0057 0.1091 0.8593
Brugia malayi Cathepsin L-like cysteine proteinase 0.004 0.054 0.054
Entamoeba histolytica cysteine protease, putative 0.0032 0.0283 0.2594
Echinococcus multilocularis lysine specific demethylase 5A 0.0071 0.1551 0.3298
Brugia malayi Cathepsin L-like precursor 0.004 0.054 0.054
Trypanosoma brucei cysteine peptidase, Clan CA, family C1, Cathepsin L-like 0.0032 0.0283 0.2229
Giardia lamblia Cathepsin B precursor 0.0062 0.127 1
Brugia malayi jmjC domain containing protein 0.0071 0.1551 0.1551
Echinococcus granulosus cathepsin L cysteine proteinase 0.0057 0.1091 0.2319
Entamoeba histolytica cysteine proteinase, putative 0.0057 0.1091 1
Plasmodium falciparum ATP-dependent Clp protease proteolytic subunit 0.0094 0.2303 1
Trichomonas vaginalis Clan CA, family C1, cathepsin L-like cysteine peptidase 0.0057 0.1091 0.8593
Leishmania major cathepsin L-like protease 0.0057 0.1091 0.7296
Leishmania major cathepsin L-like protease 0.0057 0.1091 0.7296
Trypanosoma cruzi cysteine peptidase, putative 0.0032 0.0283 0.0602
Echinococcus multilocularis cathepsin L cysteine protease 0.0057 0.1091 0.2319
Wolbachia endosymbiont of Brugia malayi ATP-dependent Clp protease proteolytic subunit 0.0094 0.2303 1
Trypanosoma cruzi cysteine proteinase, putative 0.0032 0.0283 0.0602
Trypanosoma cruzi cysteine peptidase, putative 0.0057 0.1091 0.2319
Entamoeba histolytica cysteine proteinase, putative 0.0032 0.0283 0.2594
Loa Loa (eye worm) papain family cysteine protease containing protein 0.0057 0.1091 0.1091
Trypanosoma brucei cysteine peptidase, Clan CA, family C1, Cathepsin L-like 0.0057 0.1091 0.8593
Trypanosoma cruzi cysteine protease, putative 0.0032 0.0283 0.0602
Trypanosoma brucei cysteine peptidase, Clan CA, family C1, Cathepsin L-like 0.0057 0.1091 0.8593
Trichomonas vaginalis Clan CA, family C1, papain-like cysteine peptidase 0.0057 0.1091 0.8593
Loa Loa (eye worm) hypothetical protein 0.0148 0.4021 0.4021
Plasmodium falciparum cysteine proteinase falcipain 2a 0.0057 0.1091 0.4737
Leishmania major 3-oxoacyl-(acyl-carrier protein) reductase, putative 0.0069 0.1495 1
Brugia malayi Cathepsin L-like precursor 0.0057 0.1091 0.1091
Trichomonas vaginalis Clan CA, family C1, cathepsin L-like cysteine peptidase 0.0057 0.1091 0.8593
Trypanosoma brucei cysteine peptidase, Clan CA, family C1, Cathepsin L-like 0.0057 0.1091 0.8593
Trypanosoma cruzi cysteine peptidase (N-terminal), putative 0.0032 0.0283 0.0602
Schistosoma mansoni jumonji domain containing protein 0.0071 0.1551 0.3298
Loa Loa (eye worm) aspartic protease BmAsp-2 0.0057 0.1094 0.1094
Mycobacterium ulcerans short-chain type dehydrogenase/reductase 0.0069 0.1495 0.6492
Entamoeba histolytica cysteine protease, putative 0.0032 0.0283 0.2594
Schistosoma mansoni jumonji/arid domain-containing protein 0.0071 0.1551 0.3298
Trypanosoma cruzi cysteine peptidase C (CPC), putative 0.0062 0.127 0.2699
Plasmodium falciparum cysteine proteinase falcipain 3 0.0057 0.1091 0.4737
Loa Loa (eye worm) Papain cysteine protease/cathepsin propeptide inhibitor-containing protein 0.0057 0.1091 0.1091
Trichomonas vaginalis Clan CA, family C1, cathepsin L-like cysteine peptidase 0.0057 0.1091 0.8593
Brugia malayi Cathepsin L-like precursor 0.004 0.054 0.054
Trichomonas vaginalis Clan CA, family C1, cathepsin L-like cysteine peptidase 0.0057 0.1091 0.8593
Trichomonas vaginalis Clan CA, family C1, cathepsin L-like cysteine peptidase 0.0057 0.1091 0.8593
Trichomonas vaginalis Clan CA, family C1, papain-like cysteine peptidase 0.0057 0.1091 0.8593
Trypanosoma brucei cysteine peptidase, Clan CA, family C1, Cathepsin L-like 0.0057 0.1091 0.8593
Schistosoma mansoni subfamily A1A unassigned peptidase (A01 family) 0.0057 0.1094 0.2326
Onchocerca volvulus 0.0057 0.1091 0.0582
Mycobacterium leprae PROBABLE ATP-DEPENDENT CLP PROTEASE PROTEOLYTIC SUBUNIT 2 CLPP2 (ENDOPEPTIDASE CLP 2) 0.0094 0.2303 1
Brugia malayi hypothetical protein 0.0148 0.4021 0.4021
Chlamydia trachomatis ATP-dependent Clp protease proteolytic subunit 0.0094 0.2303 0.5
Entamoeba histolytica cysteine protease, putative 0.0032 0.0283 0.2594
Trichomonas vaginalis Clan CA, family C1, cathepsin L or K-like cysteine peptidase 0.0057 0.1091 0.8593
Plasmodium falciparum cysteine proteinase falcipain 1 0.0032 0.0283 0.1229
Entamoeba histolytica cysteine protease, putative 0.0032 0.0283 0.2594
Loa Loa (eye worm) hypothetical protein 0.0094 0.2303 0.2303
Schistosoma mansoni SmCL2-like peptidase (C01 family) 0.0032 0.0283 0.0602
Loa Loa (eye worm) cathepsin B 0.0062 0.127 0.127
Mycobacterium ulcerans ATP-dependent Clp protease proteolytic subunit 0.0094 0.2303 1
Loa Loa (eye worm) hypothetical protein 0.004 0.054 0.054
Trichomonas vaginalis Clan CA, family C1, papain-like cysteine peptidase 0.0057 0.1091 0.8593
Leishmania major cathepsin L-like protease 0.0057 0.1091 0.7296
Trichomonas vaginalis Clan CA, family C1, cathepsin L-like cysteine peptidase 0.0057 0.1091 0.8593
Giardia lamblia Cathepsin B precursor 0.0062 0.127 1
Schistosoma mansoni SmCB2 peptidase (C01 family) 0.0169 0.4703 1
Entamoeba histolytica cysteine protease, putative 0.0057 0.1091 1
Plasmodium falciparum plasmepsin VI 0.0057 0.1094 0.475
Loa Loa (eye worm) hypothetical protein 0.0334 1 1
Mycobacterium ulcerans ATP-dependent Clp protease proteolytic subunit 0.0094 0.2303 1
Toxoplasma gondii ATP-dependent Clp endopeptidase, proteolytic subunit ClpP domain-containing protein 0.0094 0.2303 1
Echinococcus granulosus cysteine protease 0.0032 0.0283 0.0602
Treponema pallidum ATP-dependent Clp protease proteolytic subunit 0.0033 0.0315 0.137
Echinococcus granulosus cathepsin d lysosomal aspartyl protease 0.0057 0.1094 0.2326
Schistosoma mansoni cathepsin B-like peptidase (C01 family) 0.0169 0.4703 1
Entamoeba histolytica cysteine protease, putative 0.0032 0.0283 0.2594
Onchocerca volvulus 0.0057 0.1091 0.0582
Loa Loa (eye worm) hypothetical protein 0.0148 0.4021 0.4021
Entamoeba histolytica cysteine proteinase, putative 0.0032 0.0283 0.2594
Entamoeba histolytica cysteine protease, putative 0.0032 0.0283 0.2594
Schistosoma mansoni jumonji/arid domain-containing protein 0.0071 0.1551 0.3298
Entamoeba histolytica cysteine proteinase, putative 0.0057 0.1091 1
Entamoeba histolytica cysteine protease, putative 0.0032 0.0283 0.2594
Leishmania major cathepsin L-like protease 0.0057 0.1091 0.7296
Mycobacterium tuberculosis Probable ATP-dependent CLP protease proteolytic subunit 1 ClpP1 (endopeptidase CLP) 0.0062 0.1258 0.8416
Brugia malayi Papain family cysteine protease containing protein 0.0032 0.0283 0.0283
Trypanosoma cruzi cysteine peptidase, putative 0.0057 0.1091 0.2319
Schistosoma mansoni cathepsin D (A01 family) 0.0167 0.4646 0.9878
Toxoplasma gondii cathepsin CPL 0.0057 0.1091 0.4737
Echinococcus multilocularis cathepsin d (lysosomal aspartyl protease) 0.0057 0.1094 0.2326
Echinococcus granulosus cathepsin L cysteine protease 0.0032 0.0283 0.0602
Trypanosoma brucei cysteine peptidase C (CPC) 0.0062 0.127 1
Onchocerca volvulus Cathepsin F homolog 0.0057 0.1091 0.0582
Onchocerca volvulus 0.0057 0.1091 0.0582
Echinococcus granulosus cathepsin b 0.0169 0.4703 1
Trichomonas vaginalis Clan CA, family C1, cathepsin L-like cysteine peptidase 0.0057 0.1091 0.8593
Echinococcus multilocularis cathepsin L cysteine protease 0.0057 0.1091 0.2319
Onchocerca volvulus Cathepsin L homolog 0.0057 0.1091 0.0582
Onchocerca volvulus 0.0334 1 1
Loa Loa (eye worm) jmjC domain-containing protein 0.0071 0.1551 0.1551
Schistosoma mansoni cathepsin B-like peptidase (C01 family) 0.0169 0.4703 1
Trichomonas vaginalis Clan CA, family C1, cathepsin L or K-like cysteine peptidase 0.0057 0.1091 0.8593
Leishmania major cysteine peptidase C (CPC),CPC cysteine peptidase, Clan CA, family C1, Cathepsin B-like 0.0062 0.127 0.8492
Plasmodium vivax vivapain-2 0.0057 0.1091 0.4737
Brugia malayi Cathepsin L-like precursor 0.0057 0.1091 0.1091
Entamoeba histolytica cysteine proteinase 1, putative 0.0032 0.0283 0.2594
Echinococcus granulosus cathepsin l1 0.0057 0.1091 0.2319
Plasmodium vivax ATP-dependent Clp protease proteolytic subunit, putative 0.0094 0.2303 1
Entamoeba histolytica cysteine protease, putative 0.0032 0.0283 0.2594
Toxoplasma gondii ATP-dependent Clp endopeptidase, proteolytic subunit ClpP domain-containing protein 0.0094 0.2303 1
Plasmodium vivax vivapain-1 0.0032 0.0283 0.1229
Loa Loa (eye worm) hypothetical protein 0.0057 0.1094 0.1094
Schistosoma mansoni cathepsin B-like peptidase (C01 family) 0.0062 0.127 0.2699
Trichomonas vaginalis Clan CA, family C1, cathepsin L-like cysteine peptidase 0.0032 0.0283 0.2229
Trypanosoma cruzi cruzipain precursor, putative 0.0057 0.1091 0.2319
Schistosoma mansoni 3-hydroxyacyl-CoA dehydrogenase 0.0069 0.1495 0.3179
Trichomonas vaginalis Clan CA, family C1, cathepsin L-like cysteine peptidase 0.0057 0.1091 0.8593
Trichomonas vaginalis Clan CA, family C1, cathepsin L-like cysteine peptidase 0.0057 0.1091 0.8593
Trichomonas vaginalis Clan CA, family C1, cathepsin L-like cysteine peptidase 0.0032 0.0283 0.2229
Trichomonas vaginalis Clan CA, family C1, papain-like cysteine peptidase 0.0057 0.1091 0.8593
Loa Loa (eye worm) hypothetical protein 0.004 0.054 0.054
Echinococcus granulosus 3 hydroxyacyl coenzyme A dehydrogenase type 2 0.0069 0.1495 0.3179
Brugia malayi Cathepsin L-like precursor 0.0057 0.1091 0.1091
Onchocerca volvulus 0.0057 0.1091 0.0582
Trypanosoma brucei cysteine peptidase, Clan CA, family C1, Cathepsin L-like 0.0057 0.1091 0.8593
Entamoeba histolytica cysteine protease, putative 0.0032 0.0283 0.2594
Echinococcus multilocularis cathepsin L 0.0032 0.0283 0.0602
Echinococcus multilocularis ATP dependent Clp protease proteolytic subunit 0.0094 0.2303 0.4896
Trypanosoma cruzi cysteine peptidase, putative 0.0057 0.1091 0.2319
Trypanosoma cruzi cysteine peptidase, putative 0.0057 0.1091 0.2319
Trypanosoma brucei cysteine peptidase, Clan CA, family C1, Cathepsin L-like 0.0057 0.1091 0.8593
Trypanosoma brucei cysteine peptidase, Clan CA, family C1, Cathepsin L-like 0.0057 0.1091 0.8593
Entamoeba histolytica cysteine protease, putative 0.0032 0.0283 0.2594
Leishmania major cathepsin L-like protease 0.0057 0.1091 0.7296
Trichomonas vaginalis Clan CA, family C1, cathepsin B-like cysteine peptidase 0.0062 0.127 1
Plasmodium falciparum plasmepsin II 0.0057 0.1094 0.475
Chlamydia trachomatis ATP-dependent Clp protease proteolytic subunit 0.0094 0.2303 0.5
Loa Loa (eye worm) fibroinase 0.0057 0.1091 0.1091
Entamoeba histolytica cysteine proteinase, putative 0.0032 0.0283 0.2594
Echinococcus granulosus cathepsin l1 0.004 0.054 0.1148
Brugia malayi Cathepsin L-like precursor 0.0057 0.1091 0.1091
Echinococcus granulosus cathepsin L 0.0032 0.0283 0.0602
Brugia malayi 3-hydroxyacyl-CoA dehydrogenase type II 0.0069 0.1495 0.1495
Trichomonas vaginalis Clan CA, family C1, papain-like cysteine peptidase 0.0057 0.1091 0.8593
Schistosoma mansoni peptidase Clp (S14 family) 0.0094 0.2303 0.4896
Trichomonas vaginalis Clan CA, family C1, papain-like cysteine peptidase 0.0057 0.1091 0.8593

Activities

Activity type Activity value Assay description Source Reference
Potency (functional) = 0.1122 um PUBCHEM_BIOASSAY: qHTS Multiplex Assay to Identify Dual Action Probes in a Cell Model of Huntington: Aggregate Formation (GFP). (Class of assay: confirmatory) [Related pubchem assays: 1482, 1471 ] ChEMBL. No reference
Potency (functional) = 3.1623 um PUBCHEM_BIOASSAY: qHTS Assay for Inhibitors of HADH2 (Hydroxyacyl-Coenzyme A Dehydrogenase, Type II). (Class of assay: confirmatory) ChEMBL. No reference
Potency (functional) = 5.0119 um PUBCHEM_BIOASSAY: qHTS Assay for Inhibitors of Human Jumonji Domain Containing 2E (JMJD2E). (Class of assay: confirmatory) ChEMBL. No reference
Potency (functional) 8.2753 uM PUBCHEM_BIOASSAY: Primary qHTS for delayed death inhibitors of the malarial parasite plastid, 96 hour incubation. (Class of assay: confirmatory) [Related pubchem assays (depositor defined):AID488745, AID488752, AID488774, AID504848, AID504850] ChEMBL. No reference
Potency (functional) 11.2202 uM PubChem BioAssay. qHTS Assay for Inhibitors of the Human Apurinic/apyrimidinic Endonuclease 1 (APE1). (Class of assay: confirmatory) 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 HSD17B4, hydroxysteroid (17-beta) dehydrogenase 4. (Class of assay: confirmatory) ChEMBL. No reference
Potency (functional) = 28.1838 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) = 31.6228 um PUBCHEM_BIOASSAY: qHTS Assay for Inhibitors of HPGD (15-Hydroxyprostaglandin Dehydrogenase). (Class of assay: confirmatory) [Related pubchem assays: 2429 (Confirmation qHTS Assay for Inhibitors of HPGD (15-Hydroxyprostaglandin Dehydrogenase)), 2407 (Probe Development Summary for Inhibitors of HPGD (15-Hydroxyprostaglandin Dehydrogenase)), 2427 (Thermal Shift Assay for Inhibitors of HPGD (15-Hydroxyprostaglandin Dehydrogenase))] ChEMBL. No reference
Potency (functional) 44.6684 uM PUBCHEM_BIOASSAY: qHTS Assay for Substrates of Mammalian Selenoprotein Thioredoxin Reductase 1 (TrxR1): qHTS. (Class of assay: confirmatory) [Related pubchem assays (depositor defined):AID488771] ChEMBL. No reference
Potency (functional) 89.1251 uM PUBCHEM_BIOASSAY: qHTS Assay for Inhibitors of BAZ2B. (Class of assay: confirmatory) [Related pubchem assays (depositor defined):AID504391] ChEMBL. No reference

Phenotypes

Whole-cell/tissue/organism interactions

Species name Source Reference Is orphan
Plasmodium falciparum ChEMBL23

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

Annotated phenotypes:

We have no manually annotated phenotypes for this drug. What does this mean? / Care to help?
In TDR Targets, information about phenotypes that are caused by drugs, or by genetic manipulation of cells (e.g. gene knockouts or knockdowns) is manually curated from the literature. These descriptions help to describe the potential of the target for drug development. If no information is available for this gene or if the information is incomplete, this may mean that i) the papers containing this information either appeared after the curation effort for this organism was carried out or they were inadvertently missed by curators; or that ii) the curation effort for this organism has not yet started.
 
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External resources for this compound

Bibliographic References

No literature references available for this target.

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