Detailed information for compound 1397530

Basic information

Technical information
  • TDR Targets ID: 1397530
  • Name: 3-(3,4-dichlorophenyl)-1-[4-[(3,4-dimethyl-1, 2-oxazol-5-yl)sulfamoyl]phenyl]urea
  • MW: 455.315 | Formula: C18H16Cl2N4O4S
  • H donors: 3 H acceptors: 4 LogP: 3.81 Rotable bonds: 7
    Rule of 5 violations (Lipinski): 1
  • SMILES: O=C(Nc1ccc(c(c1)Cl)Cl)Nc1ccc(cc1)S(=O)(=O)Nc1onc(c1C)C
  • InChi: 1S/C18H16Cl2N4O4S/c1-10-11(2)23-28-17(10)24-29(26,27)14-6-3-12(4-7-14)21-18(25)22-13-5-8-15(19)16(20)9-13/h3-9,24H,1-2H3,(H2,21,22,25)
  • InChiKey: MFDXKWQZOYSRTF-UHFFFAOYSA-N  


Substructure search Similarity search

Network

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Synonyms

  • 3-(3,4-dichlorophenyl)-1-[4-[(3,4-dimethylisoxazol-5-yl)sulfamoyl]phenyl]urea
  • 3-(3,4-dichlorophenyl)-1-[4-[(3,4-dimethyl-5-isoxazolyl)sulfamoyl]phenyl]urea
  • MLS000050956
  • SMR000078689
  • ZINC00950163
  • 4-({[(3,4-dichlorophenyl)amino]carbonyl}amino)-N-(3,4-dimethyl-5-isoxazolyl)benzenesulfonamide

Targets

Known targets for this compound

Species Target name Source Bibliographic reference
Bacillus anthracis Anthrax lethal factor Starlite/ChEMBL No references
Plasmodium falciparum M17 leucyl aminopeptidase Starlite/ChEMBL No references
Homo sapiens isocitrate dehydrogenase 1 (NADP+), soluble Starlite/ChEMBL No references
Homo sapiens microtubule-associated protein tau Starlite/ChEMBL No references
Homo sapiens l(3)mbt-like 1 (Drosophila) Starlite/ChEMBL No references
Human immunodeficiency virus 1 Envelope glycoprotein gp160 Starlite/ChEMBL No references
Homo sapiens euchromatic histone-lysine N-methyltransferase 2 Starlite/ChEMBL No references
Homo sapiens purinergic receptor P2Y, G-protein coupled, 1 Starlite/ChEMBL References
Influenza A virus Nonstructural protein 1 Starlite/ChEMBL No references
Homo sapiens lysine (K)-specific methyltransferase 2A Starlite/ChEMBL No references
Homo sapiens multiple endocrine neoplasia I No references

Predicted pathogen targets for this compound

By orthology
Species Potential target Known druggable target/s Ortholog Group
Loa Loa (eye worm) isocitrate dehydrogenase Get druggable targets OG5_127057 All targets in OG5_127057
Leishmania mexicana isocitrate dehydrogenase [NADP], mitochondrial precursor, putative Get druggable targets OG5_127057 All targets in OG5_127057
Neospora caninum Probable cytosol aminopeptidase, related Get druggable targets OG5_127293 All targets in OG5_127293
Mycobacterium leprae Probable cytosol aminopeptidase PepB Get druggable targets OG5_127293 All targets in OG5_127293
Schistosoma mansoni microtubule-associated protein tau Get druggable targets OG5_133504 All targets in OG5_133504
Toxoplasma gondii isocitrate dehydrogenase Get druggable targets OG5_127057 All targets in OG5_127057
Mycobacterium tuberculosis Probable isocitrate dehydrogenase [NADP] Icd1 (oxalosuccinate decarboxylase) (IDH) (NADP+-specific ICDH) (IDP) Get druggable targets OG5_127057 All targets in OG5_127057
Echinococcus multilocularis dnaJ subfamily B Get druggable targets OG5_133913 All targets in OG5_133913
Echinococcus multilocularis NADP dependent isocitrate dehydrogenase Get druggable targets OG5_127057 All targets in OG5_127057
Cryptosporidium parvum putative leucine aminopeptidase; of possible plant or bacterial origin Get druggable targets OG5_127293 All targets in OG5_127293
Trypanosoma brucei metallo-peptidase, Clan MF, Family M17 Get druggable targets OG5_127293 All targets in OG5_127293
Plasmodium vivax isocitrate dehydrogenase [NADP], mitochondrial, putative Get druggable targets OG5_127057 All targets in OG5_127057
Leishmania donovani cytosolic leucyl aminopeptidase Get druggable targets OG5_127293 All targets in OG5_127293
Candida albicans N terminus of cytosolic NADP-specific isocitrate dehydrogenase. Get druggable targets OG5_127057 All targets in OG5_127057
Trypanosoma congolense metallo-peptidase, Clan MF, Family M17, putative Get druggable targets OG5_127293 All targets in OG5_127293
Trypanosoma cruzi isocitrate dehydrogenase, putative Get druggable targets OG5_127057 All targets in OG5_127057
Toxoplasma gondii isocitrate dehydrogenase Get druggable targets OG5_127057 All targets in OG5_127057
Plasmodium vivax M17 leucyl aminopeptidase, putative Get druggable targets OG5_127293 All targets in OG5_127293
Echinococcus granulosus NADP dependent isocitrate dehydrogenase Get druggable targets OG5_127057 All targets in OG5_127057
Brugia malayi Isocitrate dehydrogenase Get druggable targets OG5_127057 All targets in OG5_127057
Leishmania infantum isocitrate dehydrogenase [NADP], mitochondrial precursor, putative Get druggable targets OG5_127057 All targets in OG5_127057
Candida albicans Mitochondrial NADP-specific isocitrate dehydrogenase Get druggable targets OG5_127057 All targets in OG5_127057
Leishmania mexicana cytosolic leucyl aminopeptidase,metallo-peptidase, Clan MF, Family M17 Get druggable targets OG5_127293 All targets in OG5_127293
Schistosoma japonicum Lethal(3)malignant brain tumor-like 4 protein, putative Get druggable targets OG5_130415 All targets in OG5_130415
Echinococcus granulosus dnaJ subfamily B Get druggable targets OG5_133913 All targets in OG5_133913
Echinococcus multilocularis NADP dependent isocitrate dehydrogenase Get druggable targets OG5_127057 All targets in OG5_127057
Plasmodium yoelii isocitrate dehydrogenase, NADP-dependent, putative Get druggable targets OG5_127057 All targets in OG5_127057
Toxoplasma gondii histone lysine methyltransferase SET1 Get druggable targets OG5_130642 All targets in OG5_130642
Loa Loa (eye worm) pre-SET domain-containing protein family protein Get druggable targets OG5_131470 All targets in OG5_131470
Mycobacterium ulcerans leucyl aminopeptidase Get druggable targets OG5_127293 All targets in OG5_127293
Schistosoma japonicum ko:K04380 microtubule-associated protein tau, putative Get druggable targets OG5_133504 All targets in OG5_133504
Toxoplasma gondii leucyl aminopeptidase LAP Get druggable targets OG5_127293 All targets in OG5_127293
Schistosoma mansoni hypothetical protein Get druggable targets OG5_133913 All targets in OG5_133913
Schistosoma mansoni NADP-specific isocitrate dehydrogenase Get druggable targets OG5_127057 All targets in OG5_127057
Babesia bovis isocitrate dehydrogenase, NADP-dependent family protein Get druggable targets OG5_127057 All targets in OG5_127057
Plasmodium yoelii isocitrate dehydrogenase, NADP-dependent Get druggable targets OG5_127057 All targets in OG5_127057
Wolbachia endosymbiont of Brugia malayi leucyl aminopeptidase Get druggable targets OG5_127293 All targets in OG5_127293
Trypanosoma cruzi metallo-peptidase, Clan MF, Family M17, putative Get druggable targets OG5_127293 All targets in OG5_127293
Trypanosoma brucei gambiense isocitrate dehydrogenase, putative Get druggable targets OG5_127057 All targets in OG5_127057
Brugia malayi isocitrate dehydrogenase Get druggable targets OG5_127057 All targets in OG5_127057
Echinococcus multilocularis isocitrate dehydrogenase 2 (NADP+) Get druggable targets OG5_127057 All targets in OG5_127057
Plasmodium knowlesi M17 leucyl aminopeptidase, putative Get druggable targets OG5_127293 All targets in OG5_127293
Candida albicans cytosolic NADP-specific isocitrate dehydrogenase. Get druggable targets OG5_127057 All targets in OG5_127057
Brugia malayi Pre-SET motif family protein Get druggable targets OG5_131470 All targets in OG5_131470
Schistosoma japonicum Lethal(3)malignant brain tumor-like 3 protein, putative Get druggable targets OG5_130415 All targets in OG5_130415
Trypanosoma cruzi cytosolic leucyl aminopeptidase, putative Get druggable targets OG5_127293 All targets in OG5_127293
Neospora caninum hypothetical protein Get druggable targets OG5_127057 All targets in OG5_127057
Schistosoma mansoni mixed-lineage leukemia protein mll Get druggable targets OG5_130642 All targets in OG5_130642
Echinococcus granulosus endonuclease exonuclease phosphatase Get druggable targets OG5_130415 All targets in OG5_130415
Leishmania major isocitrate dehydrogenase [NADP], mitochondrial precursor, putative Get druggable targets OG5_127057 All targets in OG5_127057
Echinococcus granulosus leucine aminopeptidase protein Get druggable targets OG5_127293 All targets in OG5_127293
Schistosoma japonicum ko:K00031 isocitrate dehydrogenase [EC1.1.1.42], putative Get druggable targets OG5_127057 All targets in OG5_127057
Mycobacterium tuberculosis Probable aminopeptidase PepB Get druggable targets OG5_127293 All targets in OG5_127293
Trichomonas vaginalis set domain proteins, putative Get druggable targets OG5_131470 All targets in OG5_131470
Onchocerca volvulus Get druggable targets OG5_131470 All targets in OG5_131470
Candida albicans Mitochondrial NADP-specific isocitrate dehydrogenase Get druggable targets OG5_127057 All targets in OG5_127057
Leishmania major cytosolic leucyl aminopeptidase,metallo-peptidase, Clan MF, Family M17 Get druggable targets OG5_127293 All targets in OG5_127293
Echinococcus multilocularis microtubule associated protein 2 Get druggable targets OG5_133504 All targets in OG5_133504
Plasmodium berghei M17 leucyl aminopeptidase, putative Get druggable targets OG5_127293 All targets in OG5_127293
Neospora caninum Isocitrate dehydrogenase-like protein, related Get druggable targets OG5_127057 All targets in OG5_127057
Plasmodium knowlesi isocitrate dehydrogenase [NADP], mitochondrial, putative Get druggable targets OG5_127057 All targets in OG5_127057
Schistosoma japonicum Menin, putative Get druggable targets OG5_133913 All targets in OG5_133913
Trypanosoma brucei gambiense cytosolic leucyl aminopeptidase, putative,metallo-peptidase, Clan MF, Family M17, putative Get druggable targets OG5_127293 All targets in OG5_127293
Plasmodium falciparum isocitrate dehydrogenase [NADP], mitochondrial Get druggable targets OG5_127057 All targets in OG5_127057
Theileria parva isocitrate dehydrogenase (NADP+), putative Get druggable targets OG5_127057 All targets in OG5_127057
Schistosoma mansoni hypothetical protein Get druggable targets OG5_130415 All targets in OG5_130415
Babesia bovis leucine aminopeptidase, putative Get druggable targets OG5_127293 All targets in OG5_127293
Echinococcus multilocularis leucine aminopeptidase protein Get druggable targets OG5_127293 All targets in OG5_127293
Theileria parva leucine aminopeptidase, putative Get druggable targets OG5_127293 All targets in OG5_127293
Leishmania braziliensis cytosolic leucyl aminopeptidase,metallo-peptidase, Clan MF, Family M17 Get druggable targets OG5_127293 All targets in OG5_127293
Echinococcus multilocularis NADP dependent isocitrate dehydrogenase Get druggable targets OG5_127057 All targets in OG5_127057
Trypanosoma cruzi isocitrate dehydrogenase [NADP], mitochondrial precursor, putative Get druggable targets OG5_127057 All targets in OG5_127057
Trypanosoma congolense isocitrate dehydrogenase, putative Get druggable targets OG5_127057 All targets in OG5_127057
Echinococcus granulosus microtubule associated protein 2 Get druggable targets OG5_133504 All targets in OG5_133504
Leishmania donovani isocitrate dehydrogenase [NADP], mitochondrial precursor, putative Get druggable targets OG5_127057 All targets in OG5_127057
Neospora caninum Multidomain chromatinic protein with the following architecture: 3x PHD-bromo-3xPHD-SET domain and associated cysteine cluster a Get druggable targets OG5_130642 All targets in OG5_130642
Trypanosoma brucei gambiense isocitrate dehydrogenase [NADP], mitochondrial precursor, putative Get druggable targets OG5_127057 All targets in OG5_127057
Trypanosoma brucei isocitrate dehydrogenase, putative Get druggable targets OG5_127057 All targets in OG5_127057
Echinococcus multilocularis endonuclease exonuclease phosphatase Get druggable targets OG5_130415 All targets in OG5_130415
Trypanosoma brucei isocitrate dehydrogenase [NADP], mitochondrial precursor, putative Get druggable targets OG5_127057 All targets in OG5_127057
Chlamydia trachomatis cytosol aminopeptidase Get druggable targets OG5_127293 All targets in OG5_127293
Schistosoma japonicum ko:K09188 myeloid/lymphoid or mixed-lineage leukemia protein 3, putative Get druggable targets OG5_130642 All targets in OG5_130642
Cryptosporidium hominis leucine aminopeptidase Get druggable targets OG5_127293 All targets in OG5_127293
Plasmodium falciparum M17 leucyl aminopeptidase Get druggable targets OG5_127293 All targets in OG5_127293
Plasmodium yoelii putative leucine aminopeptidase Get druggable targets OG5_127293 All targets in OG5_127293
Leishmania infantum cytosolic leucyl aminopeptidase,metallo-peptidase, Clan MF, Family M17 Get druggable targets OG5_127293 All targets in OG5_127293
Echinococcus multilocularis isocitrate dehydrogenase Get druggable targets OG5_127057 All targets in OG5_127057
Trypanosoma congolense isocitrate dehydrogenase, putative Get druggable targets OG5_127057 All targets in OG5_127057
Plasmodium berghei isocitrate dehydrogenase [NADP], mitochondrial, putative Get druggable targets OG5_127057 All targets in OG5_127057
Candida albicans C terminus of cytosolic NADP-specific isocitrate dehydrogenase. Get druggable targets OG5_127057 All targets in OG5_127057
Leishmania braziliensis isocitrate dehydrogenase [NADP], mitochondrial precursor, putative Get druggable targets OG5_127057 All targets in OG5_127057
By sequence similarity to non orthologous known druggable targets
Species Potential target Known druggable target Length Alignment span Identity
Mycobacterium tuberculosis Hypothetical protein Nonstructural protein 1   230 aa 202 aa 23.8 %
Echinococcus granulosus pyroglutamylated rfamide peptide receptor purinergic receptor P2Y, G-protein coupled, 1 373 aa 393 aa 17.8 %
Obtained from network model

Ranking Plot

Putative Targets List

Species Potential target Raw Global Species
Mycobacterium ulcerans hypothetical protein 0.0369 0.3692 1
Mycobacterium ulcerans lipase LipD 0.0041 0.0302 0.0599
Brugia malayi C2-HC type zinc finger protein C.e-MyT1 0.0066 0.0555 0.1504
Toxoplasma gondii histone lysine methyltransferase SET1 0.0067 0.057 0.4425
Echinococcus multilocularis NADP dependent isocitrate dehydrogenase 0.0019 0.0074 0.0086
Schistosoma mansoni hypothetical protein 0.0354 0.3543 0.4116
Trypanosoma cruzi hypothetical protein, conserved 0.0041 0.0302 0.2033
Brugia malayi Aminopeptidase ZK353.6 in chromosome III 0.0025 0.014 0.0378
Echinococcus multilocularis histone lysine N methyltransferase SETMAR 0.0037 0.0258 0.0301
Schistosoma mansoni cpg binding protein 0.0037 0.0256 0.0216
Loa Loa (eye worm) aminopeptidase in chromosome III 0.0025 0.014 0.0556
Onchocerca volvulus 0.0037 0.0258 0.0023
Echinococcus multilocularis isocitrate dehydrogenase 0.0019 0.0074 0.0086
Echinococcus granulosus leucyl aminopeptidase 0.0025 0.014 0.0162
Onchocerca volvulus 0.0041 0.0302 0.0068
Schistosoma mansoni PwLAP aminopeptidase (M17 family) 0.0025 0.014 0.0078
Mycobacterium tuberculosis Conserved hypothetical protein 0.0369 0.3692 1
Mycobacterium tuberculosis Possible penicillin-binding protein 0.0263 0.2595 0.6967
Mycobacterium tuberculosis Probable lipase LipD 0.0041 0.0302 0.063
Brugia malayi exodeoxyribonuclease III family protein 0.002 0.0086 0.0234
Trichomonas vaginalis peptide N-glycanase, putative 0.0369 0.3692 1
Toxoplasma gondii leucyl aminopeptidase LAP 0.0127 0.1196 1
Loa Loa (eye worm) hypothetical protein 0.0095 0.0859 0.3452
Trypanosoma brucei aminopeptidase, putative 0.0025 0.014 0.0583
Echinococcus multilocularis NADP dependent isocitrate dehydrogenase 0.0019 0.0074 0.0086
Echinococcus multilocularis polycomb protein SCMH1 0.0058 0.0473 0.0555
Loa Loa (eye worm) hypothetical protein 0.0041 0.0302 0.121
Schistosoma mansoni mixed-lineage leukemia protein mll 0.0075 0.0652 0.0685
Mycobacterium ulcerans beta-lactamase 0.0041 0.0302 0.0599
Onchocerca volvulus 0.0058 0.0473 0.0243
Schistosoma mansoni sex comb on midleg homolog 0.0058 0.0473 0.0473
Echinococcus granulosus microtubule associated protein 2 0.0833 0.8501 1
Schistosoma mansoni leucine aminopeptidase 0.0025 0.014 0.0078
Plasmodium vivax hypothetical protein, conserved 0.0041 0.0302 0.2033
Loa Loa (eye worm) CXXC zinc finger family protein 0.0035 0.0236 0.0943
Mycobacterium tuberculosis Long conserved protein 0.0369 0.3692 1
Schistosoma mansoni eyes absent homolog 0.0095 0.0859 0.0931
Trichomonas vaginalis esterase, putative 0.0041 0.0302 0.0599
Loa Loa (eye worm) pre-SET domain-containing protein family protein 0.0252 0.2486 1
Mycobacterium tuberculosis Probable aminopeptidase PepB 0.0127 0.1196 0.31
Loa Loa (eye worm) beta-LACTamase domain containing family member 0.0041 0.0302 0.121
Mycobacterium ulcerans hypothetical protein 0.0041 0.0302 0.0599
Trichomonas vaginalis set domain proteins, putative 0.0287 0.2845 0.7651
Loa Loa (eye worm) hypothetical protein 0.0058 0.0473 0.1898
Plasmodium vivax M17 leucyl aminopeptidase, putative 0.0127 0.1196 1
Leishmania major cytosolic leucyl aminopeptidase,metallo-peptidase, Clan MF, Family M17 0.0127 0.1196 1
Echinococcus multilocularis NADP dependent isocitrate dehydrogenase 0.0019 0.0074 0.0086
Loa Loa (eye worm) hypothetical protein 0.0041 0.0302 0.121
Echinococcus granulosus cpg binding protein 0.0037 0.0256 0.03
Schistosoma mansoni scm-relatedprotein containing 4 mbt domains (sfmbt) 0.0058 0.0473 0.0473
Schistosoma mansoni microtubule-associated protein tau 0.0833 0.8501 1
Trichomonas vaginalis penicillin-binding protein, putative 0.0041 0.0302 0.0599
Trichomonas vaginalis D-aminoacylase, putative 0.0041 0.0302 0.0599
Trypanosoma cruzi hypothetical protein, conserved 0.0041 0.0302 0.2033
Brugia malayi Isocitrate dehydrogenase 0.0019 0.0074 0.0201
Mycobacterium tuberculosis Probable hydrolase 0.0041 0.0302 0.063
Brugia malayi Aminopeptidase W07G4.4 in chromosome V 0.0025 0.014 0.0378
Trypanosoma brucei apurinic/apyrimidinic endonuclease, putative 0.002 0.0086 0.0109
Entamoeba histolytica exodeoxyribonuclease III, putative 0.002 0.0086 0.5
Brugia malayi Ubiquitin carboxyl-terminal hydrolase family protein 0.0025 0.014 0.0378
Trypanosoma cruzi apurinic/apyrimidinic endonuclease, putative 0.002 0.0086 0.0109
Brugia malayi beta-lactamase family protein 0.0041 0.0302 0.0818
Trichomonas vaginalis D-aminoacylase, putative 0.0041 0.0302 0.0599
Brugia malayi mbt repeat family protein 0.0058 0.0473 0.1281
Trypanosoma cruzi metallo-peptidase, Clan MF, Family M17 0.0025 0.014 0.0583
Toxoplasma gondii histone lysine methyltransferase SET/SUV39 0.0037 0.0258 0.1636
Mycobacterium leprae Conserved hypothetical protein 0.0369 0.3692 1
Leishmania major hypothetical protein, conserved 0.0041 0.0302 0.2033
Trypanosoma cruzi apurinic/apyrimidinic endonuclease 0.002 0.0086 0.0109
Echinococcus multilocularis microtubule associated protein 2 0.0833 0.8501 1
Brugia malayi beta-lactamase family protein 0.0041 0.0302 0.0818
Loa Loa (eye worm) hypothetical protein 0.0066 0.0555 0.223
Trypanosoma brucei metallo-peptidase, Clan MF, Family M17 0.0025 0.014 0.0583
Mycobacterium ulcerans hypothetical protein 0.0369 0.3692 1
Schistosoma mansoni hypothetical protein 0.0494 0.4989 0.5832
Schistosoma mansoni sex comb on midleg homolog 0.0058 0.0473 0.0473
Leishmania major apurinic/apyrimidinic endonuclease-redox protein 0.002 0.0086 0.0109
Echinococcus granulosus leucine aminopeptidase protein 0.0127 0.1196 0.1405
Trypanosoma brucei metallo-peptidase, Clan MF, Family M17 0.0127 0.1196 1
Trypanosoma cruzi cytosolic leucyl aminopeptidase, putative 0.0127 0.1196 1
Toxoplasma gondii ABC1 family protein 0.0041 0.0302 0.2033
Mycobacterium tuberculosis Probable exodeoxyribonuclease III protein XthA (exonuclease III) (EXO III) (AP endonuclease VI) 0.002 0.0086 0.0034
Echinococcus multilocularis dnaJ subfamily B 0.0494 0.4989 0.5867
Trypanosoma cruzi metallo-peptidase, Clan MF, Family M17 0.0025 0.014 0.0583
Echinococcus multilocularis leucyl aminopeptidase 0.0025 0.014 0.0162
Echinococcus multilocularis endonuclease exonuclease phosphatase 0.0231 0.2268 0.2667
Echinococcus granulosus Transglutaminase 0.0369 0.3692 0.4342
Brugia malayi Thioredoxin family protein 0.0369 0.3692 1
Echinococcus granulosus suppression of tumorigenicity 18 protein 0.0066 0.0555 0.0652
Echinococcus granulosus endonuclease exonuclease phosphatase 0.0231 0.2268 0.2667
Trypanosoma brucei hypothetical protein, conserved 0.0041 0.0302 0.2033
Treponema pallidum exodeoxyribonuclease (exoA) 0.002 0.0086 0.5
Loa Loa (eye worm) hypothetical protein 0.0041 0.0302 0.121
Loa Loa (eye worm) exodeoxyribonuclease III family protein 0.002 0.0086 0.0342
Echinococcus granulosus 5'partial|histone lysine N methyltransferase SETDB2 0.0035 0.0236 0.0276
Plasmodium falciparum AP endonuclease (DNA-[apurinic or apyrimidinic site] lyase), putative 0.002 0.0086 0.0109
Leishmania major aminopeptidase, putative,metallo-peptidase, Clan MF, Family M17 0.0025 0.014 0.0583
Echinococcus multilocularis Transglutaminase 0.0369 0.3692 0.4342
Schistosoma mansoni family S12 unassigned peptidase (S12 family) 0.0041 0.0302 0.0271
Onchocerca volvulus 0.0041 0.0302 0.0068
Mycobacterium tuberculosis Probable esterase/lipase LipP 0.0041 0.0302 0.063
Echinococcus multilocularis beta LACTamase domain containing family member 0.0041 0.0302 0.0354
Leishmania major aminopeptidase, putative,metallo-peptidase, Clan MF, Family M17 0.0025 0.014 0.0583
Mycobacterium ulcerans esterase/lipase LipP 0.0041 0.0302 0.0599
Brugia malayi Hypothetical 52.5 kDa protein ZK945.1 in chromosome II, putative 0.0041 0.0302 0.0818
Echinococcus multilocularis histone lysine methyltransferase setb histone lysine methyltransferase eggless 0.0037 0.0258 0.0301
Echinococcus granulosus beta LACTamase domain containing family member 0.0041 0.0302 0.0354
Schistosoma mansoni cpg binding protein 0.0035 0.0236 0.0192
Mycobacterium tuberculosis Conserved protein 0.0041 0.0302 0.063
Loa Loa (eye worm) hypothetical protein 0.0095 0.0859 0.3452
Loa Loa (eye worm) isocitrate dehydrogenase 0.0019 0.0074 0.0293
Echinococcus multilocularis histone acetyltransferase MYST2 0.0066 0.0555 0.0652
Mycobacterium tuberculosis Possible conserved lipoprotein LpqK 0.0041 0.0302 0.063
Mycobacterium leprae Probable cytosol aminopeptidase PepB 0.0127 0.1196 0.2636
Loa Loa (eye worm) hypothetical protein 0.0041 0.0302 0.121
Loa Loa (eye worm) aminopeptidase in chromosome V 0.0025 0.014 0.0556
Giardia lamblia Transglutaminase/protease, putative 0.0369 0.3692 1
Brugia malayi hypothetical protein 0.0095 0.0859 0.2327
Echinococcus multilocularis suppression of tumorigenicity 18 protein 0.0066 0.0555 0.0652
Schistosoma mansoni histone-lysine n-methyltransferase setb1 0.0037 0.0258 0.0218
Echinococcus multilocularis leucyl aminopeptidase 0.0025 0.014 0.0162
Plasmodium vivax SET domain protein, putative 0.0037 0.0258 0.1636
Mycobacterium ulcerans leucyl aminopeptidase 0.0127 0.1196 0.3077
Schistosoma mansoni hypothetical protein 0.0369 0.3692 0.4293
Brugia malayi mbt repeat family protein 0.0058 0.0473 0.1281
Mycobacterium tuberculosis Probable conserved lipoprotein 0.0041 0.0302 0.063
Trypanosoma cruzi metallo-peptidase, Clan MF, Family M17, putative 0.0127 0.1196 1
Toxoplasma gondii exonuclease III APE 0.002 0.0086 0.0109
Mycobacterium ulcerans transglutaminase family protein 0.0369 0.3692 1
Schistosoma mansoni family S12 unassigned peptidase (S12 family) 0.0041 0.0302 0.0271
Loa Loa (eye worm) beta-lactamase 0.0041 0.0302 0.121
Giardia lamblia Hypothetical protein 0.0369 0.3692 1
Loa Loa (eye worm) mbt repeat family protein 0.0058 0.0473 0.1898
Mycobacterium tuberculosis Probable lipase LipE 0.0041 0.0302 0.063
Loa Loa (eye worm) hypothetical protein 0.0041 0.0302 0.121
Brugia malayi Pre-SET motif family protein 0.0252 0.2486 0.6733
Mycobacterium tuberculosis Probable esterase LipL 0.0041 0.0302 0.063
Trypanosoma brucei metallo-peptidase, Clan MF, Family M17 0.0025 0.014 0.0583
Echinococcus granulosus histone lysine methyltransferase setb 0.0037 0.0258 0.0301
Trichomonas vaginalis D-aminoacylase, putative 0.0041 0.0302 0.0599
Brugia malayi cytosol aminopeptidase 0.0025 0.014 0.0378
Echinococcus granulosus polycomb protein SCMH1 0.0058 0.0473 0.0555
Plasmodium vivax AP endonuclease (DNA-[apurinic or apyrimidinic site] lyase), putative 0.002 0.0086 0.0109
Echinococcus multilocularis SAM and MBT domain containing protein 0.0058 0.0473 0.0555
Echinococcus granulosus DNA apurinic or apyrimidinic site lyase 0.002 0.0086 0.01
Echinococcus granulosus histone acetyltransferase MYST2 0.0066 0.0555 0.0652
Mycobacterium ulcerans fusion of enoyl-CoA hydratase, EchA21 and lipase, LipE 0.0041 0.0302 0.0599
Echinococcus multilocularis leucine aminopeptidase protein 0.0127 0.1196 0.1405
Loa Loa (eye worm) hypothetical protein 0.0037 0.0258 0.1031
Mycobacterium tuberculosis Conserved protein 0.0369 0.3692 1
Schistosoma mansoni histone-lysine n-methyltransferase setb1 0.0037 0.0258 0.0218
Echinococcus granulosus SAM and MBT domain containing protein 0.0058 0.0473 0.0555
Echinococcus granulosus leucyl aminopeptidase 0.0025 0.014 0.0162
Onchocerca volvulus 0.0287 0.2845 0.2672
Echinococcus granulosus NADP dependent isocitrate dehydrogenase 0.0019 0.0074 0.0086
Loa Loa (eye worm) MBCTL1 0.0066 0.0555 0.223
Schistosoma mansoni cpg binding protein 0.0037 0.0256 0.0216
Wolbachia endosymbiont of Brugia malayi leucyl aminopeptidase 0.0127 0.1196 1
Echinococcus granulosus ankyrin repeat domain containing protein 17 0.0025 0.014 0.0162
Schistosoma mansoni histone-lysine n-methyltransferase suv9 0.0037 0.0258 0.0218
Schistosoma mansoni ap endonuclease 0.002 0.0086 0.0014
Loa Loa (eye worm) hypothetical protein 0.0041 0.0302 0.121
Mycobacterium tuberculosis Conserved hypothetical protein 0.0369 0.3692 1
Chlamydia trachomatis cytosol aminopeptidase 0.0127 0.1196 0.5
Onchocerca volvulus Polycomb protein Sfmbt homolog 0.0058 0.0473 0.0243
Mycobacterium tuberculosis Conserved protein 0.0041 0.0302 0.063
Plasmodium falciparum M17 leucyl aminopeptidase 0.0127 0.1196 1
Echinococcus multilocularis DNA (apurinic or apyrimidinic site) lyase 0.002 0.0086 0.01
Echinococcus multilocularis cpg binding protein 0.0037 0.0256 0.03
Mycobacterium tuberculosis Hypothetical protein 0.0369 0.3692 1
Brugia malayi Pre-SET motif family protein 0.0037 0.0258 0.0698
Echinococcus multilocularis leucyl aminopeptidase 0.0025 0.014 0.0162
Schistosoma mansoni ap endonuclease 0.002 0.0086 0.0014
Onchocerca volvulus 0.0041 0.0302 0.0068
Schistosoma mansoni myelin transcription factor 1 myt1 0.0066 0.0555 0.0571
Mycobacterium leprae Conserved hypothetical protein 0.0369 0.3692 1
Leishmania major aminopeptidase, putative,metallo-peptidase, Clan MF, Family M17 0.0025 0.014 0.0583
Echinococcus granulosus dnaJ subfamily B 0.0494 0.4989 0.5867
Schistosoma mansoni histone-lysine n-methyltransferase setb1 0.0037 0.0258 0.0218
Brugia malayi beta-lactamase 0.0041 0.0302 0.0818
Brugia malayi isocitrate dehydrogenase 0.0019 0.0074 0.0201
Mycobacterium ulcerans putative transglutaminase-like protein 0.0369 0.3692 1
Echinococcus multilocularis isocitrate dehydrogenase 2 (NADP+) 0.0019 0.0074 0.0086
Trichomonas vaginalis penicillin-binding protein, putative 0.0041 0.0302 0.0599
Brugia malayi CXXC zinc finger family protein 0.0035 0.0236 0.0638
Mycobacterium tuberculosis Conserved protein 0.0041 0.0302 0.063

Activities

Activity type Activity value Assay description Source Reference
IC50 (functional) = 0.14 uM Antagonist activity at human P2Y1R expressed in human 1321N1 cells assessed as inhibition of 2-MeSADP-induced increase in intracellular inositol phosphate generation ChEMBL. 22831801
IC50 (functional) = 9.03 um PUBCHEM_BIOASSAY: Inhibitors of Plasmodium falciparum M17- Family Leucine Aminopeptidase (M17LAP). (Class of assay: confirmatory) ChEMBL. No reference
IC50 (binding) = 19.8 uM PUBCHEM_BIOASSAY: uHTS fluorescence assay for the identification of Human Immunodeficiency Virus Fusion Inhibitors. (Class of assay: confirmatory) [Related pubchem assays (depositor defined):AID1991, AID434967] ChEMBL. No reference
IC50 (functional) = 43.1 uM PUBCHEM_BIOASSAY: Dose Response confirmation of uHTS small molecule inhibitors of tim10-1 yeast via a luminescent assay. (Class of assay: confirmatory) [Related pubchem assays (depositor defined):AID463190, AID463194, AID504542, AID504544] ChEMBL. No reference
Inhibition (functional) = 36.8 % Antagonist activity at human P2Y1R expressed in human 1321N1 cells assessed as inhibition of 2-MeSADP-induced increase in intracellular calcium mobilization at 10 uM ChEMBL. 22831801
Ki (binding) = 13 uM Displacement of [125I]MRS2500 from human P2Y1R expressed in Sf9 cell membrane ChEMBL. 22831801
Potency (functional) = 2.8184 um PUBCHEM_BIOASSAY: qHTS Assay for the Inhibitors of L3MBTL1. (Class of assay: confirmatory) [Related pubchem assays: 485292 (Probe Development Summary for Inhibitors of L3MBTL1)] ChEMBL. No reference
Potency (functional) = 11.2202 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) = 12.5893 um PUBCHEM_BIOASSAY: qHTS Assay for Inhibitors of Influenza NS1 Protein Function. (Class of assay: confirmatory) ChEMBL. No reference
Potency (functional) = 12.5893 um PUBCHEM_BIOASSAY: qHTS Assay for Inhibitors Targeting the Menin-MLL Interaction in MLL Related Leukemias: Competition With Texas Red Labeled MLL-derived Mutant Peptide. (Class of assay: confirmatory) ChEMBL. No reference
Potency (functional) = 12.5893 um PUBCHEM_BIOASSAY: qHTS Assay for Anthrax Lethal Toxin Internalization. (Class of assay: confirmatory) ChEMBL. No reference
Potency (functional) 12.5893 uM PUBCHEM_BIOASSAY: qHTS Assay for Inhibitors of Histone Lysine Methyltransferase G9a. (Class of assay: confirmatory) [Related pubchem assays (depositor defined):AID504404] ChEMBL. No reference
Potency (functional) 18.3564 uM PubChem BioAssay. qHTS for induction of synthetic lethality in tumor cells producing 2HG: qHTS for the HT-1080-NT fibrosarcoma cell line. (Class of assay: confirmatory) ChEMBL. No reference
Potency (functional) 18.526 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) 20.5962 uM PubChem BioAssay. A quantitative high throughput screen for small molecules that induce DNA re-replication in MCF 10a normal breast cells. (Class of assay: confirmatory) ChEMBL. No reference
Potency (functional) 20.5962 uM PUBCHEM_BIOASSAY: qHTS Assay for Inhibitors of RanGTP induced Rango (Ran-regulated importin-beta cargo) - Importin beta complex dissociation. (Class of assay: confirmatory) [Related pubchem assays (depositor defined):AID540262] ChEMBL. No reference
Potency (functional) 25.1189 uM PUBCHEM_BIOASSAY: qHTS for Inhibitors of Polymerase Iota. (Class of assay: confirmatory) [Related pubchem assays (depositor defined):AID588623] ChEMBL. No reference
Potency (functional) 25.1189 uM PubChem BioAssay. qHTS for Small Molecule Inhibitors of the ERG Ets/DNA interaction. (Class of assay: confirmatory) ChEMBL. No reference
Potency (functional) 26.8545 uM PUBCHEM_BIOASSAY: qHTS Assay to Find Inhibitors of T. brucei phosphofructokinase. (Class of assay: confirmatory) [Related pubchem assays (depositor defined):AID488768, AID492961] ChEMBL. No reference
Potency (functional) = 28.1838 um PUBCHEM_BIOASSAY: qHTS Assay for Promiscuous and Specific Inhibitors of Cruzain (with detergent). (Class of assay: confirmatory) [Related pubchem assays: 2158 (Confirmation qHTS Assay for Inhibitors of Cruzain), 2249 (Probe Development Summary of Promiscuous Inhibitors (Artifacts) of Cruzain), 2161 (qHTS Assay for Inhibitors of Papain: Counterscreen for Cruzain Assay), 1476 (qHTS Assay for Promiscuous and Specific Inhibitors of Cruzain (without detergent))] ChEMBL. No reference
Potency (functional) 28.1838 uM PubChem BioAssay. qHTS of GLP-1 Receptor Inverse Agonists (Inhibition Mode). (Class of assay: confirmatory) ChEMBL. No reference
Potency (binding) = 31.6228 um PUBCHEM_BIOASSAY: qHTS for Inhibitors of Tau Fibril Formation, Thioflavin T Binding. (Class of assay: confirmatory) [Related pubchem assays: 596 ] ChEMBL. No reference
Potency (functional) 31.6228 uM PubChem BioAssay. qHTS for Agonist of gsp, the Etiologic Mutation Responsible for Fibrous Dysplasia/McCune-Albright Syndrome: qHTS. (Class of assay: confirmatory) ChEMBL. No reference
Potency (functional) 33.5875 uM PubChem BioAssay. qHTS for Inhibitors of PLK1-PDB (polo-like kinase 1 - polo-box domain): Primary Screen. (Class of assay: confirmatory) ChEMBL. No reference
Potency (functional) 35.4813 uM PUBCHEM_BIOASSAY: qHTS for Inhibitors of TGF-b: Cytotox Counterscreen. (Class of assay: confirmatory) [Related pubchem assays (depositor defined):AID588855, AID588860] ChEMBL. No reference
Potency (functional) = 39.8107 um PUBCHEM_BIOASSAY: qHTS for Inhibitors of Tau Fibril Formation, Fluorescence Polarization. (Class of assay: confirmatory) [Related pubchem assays: 596 ] ChEMBL. No reference
Potency (functional) = 44.6684 um PUBCHEM_BIOASSAY: qHTS Assay for Inhibitors of DNA Polymerase Beta. (Class of assay: confirmatory) ChEMBL. No reference
Potency (functional) 44.6684 uM PubChem BioAssay. Inhibitors of USP1/UAF1: Primary Screen. (Class of assay: confirmatory) ChEMBL. No reference
Potency (functional) 50.1187 uM PUBCHEM_BIOASSAY: qHTS for Inhibitors of Polymerase Eta. (Class of assay: confirmatory) [Related pubchem assays (depositor defined):AID588636] ChEMBL. No reference
Potency (functional) 79.4328 uM PUBCHEM_BIOASSAY: qHTS Assay for Inhibitors of JMJD2A-Tudor Domain. (Class of assay: confirmatory) [Related pubchem assays (depositor defined):AID504402] ChEMBL. No reference
Potency (functional) 84.9214 uM PubChem BioAssay. qHTS Assay to Find Inhibitors of Pin1. (Class of assay: confirmatory) 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

1 literature reference was collected for this gene.

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