Detailed information for compound 1194331

Basic information

Technical information
  • TDR Targets ID: 1194331
  • Name: 3-[(4-chloro-2,5-dimethylphenyl)sulfonylmethy l]-5-(3,5-dimethyl-1,2-oxazol-4-yl)-1,2,4-oxa diazole
  • MW: 381.834 | Formula: C16H16ClN3O4S
  • H donors: 0 H acceptors: 5 LogP: 3.17 Rotable bonds: 4
    Rule of 5 violations (Lipinski): 1
  • SMILES: Cc1cc(c(cc1Cl)C)S(=O)(=O)Cc1noc(n1)c1c(C)noc1C
  • InChi: 1S/C16H16ClN3O4S/c1-8-6-13(9(2)5-12(8)17)25(21,22)7-14-18-16(24-20-14)15-10(3)19-23-11(15)4/h5-6H,7H2,1-4H3
  • InChiKey: ZZOBZENRICABDF-UHFFFAOYSA-N  


Substructure search Similarity search

Network

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Synonyms

  • 3-[(4-chloro-2,5-dimethyl-phenyl)sulfonylmethyl]-5-(3,5-dimethylisoxazol-4-yl)-1,2,4-oxadiazole
  • 3-[(4-chloro-2,5-dimethylphenyl)sulfonylmethyl]-5-(3,5-dimethyl-4-isoxazolyl)-1,2,4-oxadiazole
  • 3-[(4-chloro-2,5-dimethyl-phenyl)sulfonylmethyl]-5-(3,5-dimethyl-1,2-oxazol-4-yl)-1,2,4-oxadiazole
  • 3-{[(4-chloro-2,5-dimethylphenyl)sulfonyl]methyl}-5-(3,5-dimethyl-4-isoxazolyl)-1,2,4-oxadiazole
  • MLS000860085
  • SMR000460864
  • ZINC01035014
  • Oprea1_307868

Targets

Known targets for this compound

Species Target name Source Bibliographic reference
Homo sapiens APEX nuclease (multifunctional DNA repair enzyme) 1 Starlite/ChEMBL No references
Homo sapiens euchromatic histone-lysine N-methyltransferase 2 Starlite/ChEMBL No references
Mus musculus RAR-related orphan receptor gamma Starlite/ChEMBL No references

Predicted pathogen targets for this compound

By orthology
Species Potential target Known druggable target/s Ortholog Group
Brugia malayi exodeoxyribonuclease III family 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
Cryptosporidium parvum conserved hypothetical protein Get druggable targets OG5_126768 All targets in OG5_126768
Mycobacterium tuberculosis Probable exodeoxyribonuclease III protein XthA (exonuclease III) (EXO III) (AP endonuclease VI) 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
Candida albicans similar to S. cerevisiae APN2 (YBL019W) DNA repair apurinic/apyrimidinic endonuclease Get druggable targets OG5_126768 All targets in OG5_126768
Plasmodium falciparum AP endonuclease (DNA-[apurinic or apyrimidinic site] lyase), putative Get druggable targets OG5_126768 All targets in OG5_126768
Schistosoma mansoni ap 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
Trichomonas vaginalis set domain proteins, putative Get druggable targets OG5_131470 All targets in OG5_131470
Trichomonas vaginalis ap endonuclease, putative Get druggable targets OG5_126768 All targets in OG5_126768
Leishmania braziliensis apurinic/apyrimidinic endonuclease-redox protein Get druggable targets OG5_126768 All targets in OG5_126768
Trypanosoma cruzi apurinic/apyrimidinic endonuclease Get druggable targets OG5_126768 All targets in OG5_126768
Entamoeba histolytica exodeoxyribonuclease III, putative Get druggable targets OG5_126768 All targets in OG5_126768
Theileria parva hypothetical protein Get druggable targets OG5_126768 All targets in OG5_126768
Leishmania mexicana apurinic/apyrimidinic endonuclease-redox protein,AP-endonuclease Get druggable targets OG5_126768 All targets in OG5_126768
Loa Loa (eye worm) exodeoxyribonuclease III family protein Get druggable targets OG5_126768 All targets in OG5_126768
Neospora caninum hypothetical protein Get druggable targets OG5_126768 All targets in OG5_126768
Trypanosoma brucei apurinic/apyrimidinic 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
Giardia lamblia Endonuclease/Exonuclease/phosphatase Get druggable targets OG5_126768 All targets in OG5_126768
Schistosoma japonicum ko:K10771 AP endonuclease 1, putative Get druggable targets OG5_126768 All targets in OG5_126768
Cryptosporidium hominis dna-(apurinic or apyrimidinic site) lyase 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
Mycobacterium ulcerans exodeoxyribonuclease III protein XthA 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
Schistosoma japonicum ko:K10772 AP endonuclease 2, putative Get druggable targets OG5_126768 All targets in OG5_126768
Plasmodium vivax AP endonuclease (DNA-[apurinic or apyrimidinic site] lyase), putative Get druggable targets OG5_126768 All targets in OG5_126768
Loa Loa (eye worm) pre-SET domain-containing protein family protein Get druggable targets OG5_131470 All targets in OG5_131470
Leishmania infantum apurinic/apyrimidinic endonuclease-redox protein 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
Plasmodium knowlesi AP endonuclease (DNA-[apurinic or apyrimidinic site] lyase), putative Get druggable targets OG5_126768 All targets in OG5_126768
Leishmania donovani apurinic/apyrimidinic endonuclease-redox protein Get druggable targets OG5_126768 All targets in OG5_126768
Plasmodium berghei AP endonuclease (DNA-[apurinic or apyrimidinic site] lyase), putative Get druggable targets OG5_126768 All targets in OG5_126768
Treponema pallidum exodeoxyribonuclease (exoA) 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
Trypanosoma brucei gambiense apurinic/apyrimidinic endonuclease, putative Get druggable targets OG5_126768 All targets in OG5_126768
Brugia malayi Pre-SET motif family protein Get druggable targets OG5_131470 All targets in OG5_131470
Schistosoma japonicum DNA-(apurinic or apyrimidinic site) lyase 2, putative 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
Onchocerca volvulus Get druggable targets OG5_131470 All targets in OG5_131470
Schistosoma mansoni ap endonuclease 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
Plasmodium yoelii putative AP endonuclease-related Get druggable targets OG5_126768 All targets in OG5_126768
By sequence similarity to non orthologous known druggable targets
No druggable targets predicted by sequence similarity
Obtained from network model

Ranking Plot

Putative Targets List

Species Potential target Raw Global Species
Brugia malayi hypothetical protein 0.0025 0.0271 0.0376
Echinococcus multilocularis histone lysine N methyltransferase SETMAR 0.0036 0.0616 0.0616
Plasmodium vivax ataxin-2 like protein, putative 0.0025 0.0271 0.0375
Plasmodium vivax SET domain protein, putative 0.0036 0.0616 0.0936
Mycobacterium leprae PROBABLE FATTY-ACID-CoA LIGASE FADD7 (FATTY-ACID-CoA SYNTHETASE) (FATTY-ACID-CoA SYNTHASE) 0.0023 0.0217 1
Echinococcus granulosus DNA apurinic or apyrimidinic site lyase 0.0023 0.0209 0.0209
Schistosoma mansoni apoferritin-2 0.0017 0.004 0.004
Echinococcus granulosus glucose 6 phosphate 1 dehydrogenase 0.0211 0.596 0.596
Schistosoma mansoni tar DNA-binding protein 0.0062 0.1413 0.1413
Brugia malayi Pre-SET motif family protein 0.0036 0.0616 0.0857
Loa Loa (eye worm) MH2 domain-containing protein 0.0233 0.6628 0.9216
Plasmodium vivax glucose-6-phosphate 1-dehydrogenase, putative 0.0219 0.6206 1
Loa Loa (eye worm) RNA binding protein 0.0062 0.1413 0.1965
Brugia malayi RNA binding protein 0.0062 0.1413 0.1965
Leishmania major hypothetical protein, conserved 0.0025 0.0271 0.0107
Schistosoma mansoni hypothetical protein 0.0031 0.0449 0.0449
Echinococcus granulosus muscleblind protein 0.0145 0.3935 0.3935
Loa Loa (eye worm) hypothetical protein 0.0017 0.0039 0.0055
Loa Loa (eye worm) hypothetical protein 0.0023 0.0217 0.0301
Echinococcus granulosus guanine nucleotide binding protein Gs subunit 0.0089 0.2242 0.2242
Loa Loa (eye worm) RNA recognition domain-containing protein domain-containing protein 0.0062 0.1413 0.1965
Brugia malayi GTP-binding regulatory protein Gs alpha-S chain, putative 0.0089 0.2242 0.3118
Entamoeba histolytica hypothetical protein 0.0035 0.0593 1
Trichomonas vaginalis glucosamine-6-phosphate isomerase, putative 0.0219 0.6206 0.7508
Toxoplasma gondii LsmAD domain-containing protein 0.0025 0.0271 0.0102
Schistosoma mansoni Guanine nucleotide-binding protein G(s) subunit alpha (Adenylate cyclase-stimulating G alpha protein) 0.0089 0.2242 0.2242
Mycobacterium ulcerans fatty-acid-CoA ligase 0.0023 0.0217 0.0299
Echinococcus multilocularis ferritin 0.0017 0.004 0.004
Trichomonas vaginalis set domain proteins, putative 0.0286 0.8253 1
Schistosoma mansoni ferritin light chain 0.0017 0.004 0.004
Trypanosoma cruzi PAB1-binding protein , putative 0.0025 0.0271 0.0107
Mycobacterium tuberculosis Bacterioferritin BfrB 0.0017 0.004 0.0167
Loa Loa (eye worm) hypothetical protein 0.0147 0.3991 0.5549
Schistosoma mansoni hypothetical protein 0.0031 0.0449 0.0449
Loa Loa (eye worm) hypothetical protein 0.0023 0.0217 0.0301
Schistosoma mansoni ferritin 0.0017 0.004 0.004
Toxoplasma gondii histone lysine methyltransferase SET/SUV39 0.0036 0.0616 0.0679
Mycobacterium tuberculosis Probable fatty-acid-CoA ligase FadD2 (fatty-acid-CoA synthetase) (fatty-acid-CoA synthase) 0.0023 0.0217 0.1183
Schistosoma mansoni tar DNA-binding protein 0.0062 0.1413 0.1413
Brugia malayi Muscleblind-like protein 0.0145 0.3935 0.5471
Leishmania major 4-coumarate:coa ligase-like protein 0.0023 0.0217 0.0013
Mycobacterium ulcerans long-chain fatty-acid CoA ligase 0.0023 0.0217 0.0299
Trypanosoma cruzi Glucose-6-phosphate dehydrogenase, putative 0.0068 0.1589 0.2399
Mycobacterium ulcerans acyl-CoA synthetase 0.0023 0.0217 0.0299
Schistosoma mansoni hypothetical protein 0.0343 1 1
Echinococcus granulosus cadherin EGF LAG seven pass G type receptor 0.0031 0.0449 0.0449
Echinococcus multilocularis diuretic hormone 44 receptor GPRdih2 0.0031 0.0449 0.0449
Mycobacterium ulcerans hypothetical protein 0.0023 0.0217 0.0299
Schistosoma mansoni hypothetical protein 0.0343 1 1
Schistosoma mansoni apoferritin-2 0.0017 0.004 0.004
Mycobacterium ulcerans long-chain-fatty-acid-CoA ligase 0.0023 0.0217 0.0299
Trichomonas vaginalis ap endonuclease, putative 0.0023 0.0209 0.0206
Loa Loa (eye worm) hypothetical protein 0.0066 0.1533 0.2131
Trypanosoma brucei PAB1-binding protein , putative 0.0025 0.0271 0.0107
Treponema pallidum glucose-6-phosphate 1-dehydrogenase 0.0211 0.596 1
Schistosoma mansoni hypothetical protein 0.0035 0.0593 0.0593
Toxoplasma gondii glucose-6-phosphate 1-dehydrogenase 0.0138 0.3725 0.5862
Loa Loa (eye worm) transcription factor SMAD2 0.0233 0.6628 0.9216
Trichomonas vaginalis 6-phosphogluconolactonase, putative 0.0219 0.6206 0.7508
Mycobacterium tuberculosis Probable exodeoxyribonuclease III protein XthA (exonuclease III) (EXO III) (AP endonuclease VI) 0.0023 0.0209 0.1139
Entamoeba histolytica hypothetical protein 0.0035 0.0593 1
Schistosoma mansoni tar DNA-binding protein 0.0062 0.1413 0.1413
Schistosoma mansoni ferritin 0.0017 0.004 0.004
Loa Loa (eye worm) exodeoxyribonuclease III family protein 0.0023 0.0209 0.0291
Loa Loa (eye worm) pigment dispersing factor receptor c 0.0097 0.2467 0.343
Trichomonas vaginalis glucosamine-6-phosphate isomerase, putative 0.0219 0.6206 0.7508
Schistosoma mansoni hypothetical protein 0.0031 0.0449 0.0449
Echinococcus multilocularis glucose 6 phosphate 1 dehydrogenase 0.0211 0.596 0.596
Onchocerca volvulus 0.0147 0.3991 0.4697
Wolbachia endosymbiont of Brugia malayi exonuclease III 0.0023 0.0209 1
Brugia malayi latrophilin 2 splice variant baaae 0.0066 0.1533 0.2131
Loa Loa (eye worm) hypothetical protein 0.0017 0.0039 0.0055
Chlamydia trachomatis glucose-6-phosphate 1-dehydrogenase 0.0211 0.596 1
Mycobacterium tuberculosis Probable chain -fatty-acid-CoA ligase FadD13 (fatty-acyl-CoA synthetase) 0.0023 0.0217 0.1183
Echinococcus granulosus GPCR family 2 0.0031 0.0449 0.0449
Treponema pallidum exodeoxyribonuclease (exoA) 0.0023 0.0209 0.0286
Brugia malayi hypothetical protein 0.0016 0.0003 0.0004
Loa Loa (eye worm) hypothetical protein 0.0031 0.0449 0.0625
Schistosoma mansoni ferritin 0.0017 0.004 0.004
Schistosoma mansoni hypothetical protein 0.0031 0.0449 0.0449
Echinococcus granulosus 5'partial|histone lysine N methyltransferase SETDB2 0.0035 0.0576 0.0576
Echinococcus multilocularis geminin 0.0343 1 1
Schistosoma mansoni tar DNA-binding protein 0.0062 0.1413 0.1413
Entamoeba histolytica hypothetical protein 0.0035 0.0593 1
Entamoeba histolytica acyl-CoA synthetase, putative 0.0023 0.0217 0.02
Schistosoma mansoni ferritin 0.0017 0.004 0.004
Schistosoma mansoni glucose-6-phosphate 1-dehydrogenase 0.0211 0.596 0.596
Echinococcus granulosus histone lysine methyltransferase setb 0.0036 0.0616 0.0616
Echinococcus multilocularis muscleblind protein 0.0145 0.3935 0.3935
Brugia malayi exodeoxyribonuclease III family protein 0.0023 0.0209 0.0291
Leishmania major glucose-6-phosphate 1-dehydrogenase, putative 0.0211 0.596 1
Mycobacterium tuberculosis Fatty-acid-AMP ligase FadD30 (fatty-acid-AMP synthetase) (fatty-acid-AMP synthase) 0.0017 0.0039 0.0164
Echinococcus multilocularis muscleblind protein 1 0.0145 0.3935 0.3935
Loa Loa (eye worm) hypothetical protein 0.0036 0.0616 0.0857
Mycobacterium tuberculosis Probable bacterioferritin BfrA 0.0017 0.004 0.0167
Schistosoma mansoni histone-lysine n-methyltransferase setb1 0.0036 0.0616 0.0616
Echinococcus multilocularis histone lysine methyltransferase setb histone lysine methyltransferase eggless 0.0036 0.0616 0.0616
Onchocerca volvulus 0.0286 0.8253 1
Schistosoma mansoni ap endonuclease 0.0023 0.0209 0.0209
Brugia malayi AMP-binding enzyme family protein 0.0023 0.0217 0.0301
Brugia malayi MH2 domain containing protein 0.0233 0.6628 0.9216
Echinococcus multilocularis guanine nucleotide binding protein G(s) subunit 0.0089 0.2242 0.2242
Loa Loa (eye worm) GTP-binding regulatory protein Gs alpha-S chain 0.0089 0.2242 0.3118
Schistosoma mansoni ferritin light chain 0.0017 0.004 0.004
Brugia malayi RNA recognition motif domain containing protein 0.0062 0.1413 0.1965
Giardia lamblia Glucose-6-phosphate 1-dehydrogenase 0.0219 0.6206 1
Trichomonas vaginalis ap endonuclease, putative 0.0023 0.0209 0.0206
Loa Loa (eye worm) hypothetical protein 0.0145 0.3935 0.5471
Loa Loa (eye worm) hypothetical protein 0.0017 0.0039 0.0055
Brugia malayi Latrophilin receptor protein 2 0.0031 0.0449 0.0625
Schistosoma mansoni ap endonuclease 0.0023 0.0209 0.0209
Schistosoma mansoni hypothetical protein 0.0066 0.1533 0.1533
Schistosoma mansoni tar DNA-binding protein 0.0062 0.1413 0.1413
Brugia malayi AMP-binding enzyme family protein 0.0023 0.0217 0.0301
Mycobacterium ulcerans glucose-6-phosphate 1-dehydrogenase 0.0211 0.596 1
Echinococcus multilocularis GPCR, family 2 0.0031 0.0449 0.0449
Echinococcus multilocularis tar DNA binding protein 0.0062 0.1413 0.1413
Echinococcus multilocularis cadherin EGF LAG seven pass G type receptor 0.0031 0.0449 0.0449
Mycobacterium tuberculosis Probable glucose-6-phosphate 1-dehydrogenase Zwf2 (G6PD) 0.0073 0.1751 1
Loa Loa (eye worm) hypothetical protein 0.0017 0.0039 0.0055
Echinococcus multilocularis DNA (apurinic or apyrimidinic site) lyase 0.0023 0.0209 0.0209
Onchocerca volvulus 0.0036 0.0616 0.0497
Echinococcus multilocularis guanine nucleotide binding protein G(s) subunit 0.0089 0.2242 0.2242
Mycobacterium ulcerans acyl-CoA synthetase 0.0023 0.0217 0.0299
Brugia malayi Calcitonin receptor-like protein seb-1 0.0097 0.2467 0.343
Loa Loa (eye worm) hypothetical protein 0.0023 0.0217 0.0301
Schistosoma mansoni histone-lysine n-methyltransferase setb1 0.0036 0.0616 0.0616
Loa Loa (eye worm) TAR-binding protein 0.0062 0.1413 0.1965
Echinococcus granulosus diuretic hormone 44 receptor GPRdih2 0.0031 0.0449 0.0449
Trypanosoma cruzi glucose-6-phosphate 1-dehydrogenase, putative 0.0211 0.596 1
Mycobacterium ulcerans exodeoxyribonuclease III protein XthA 0.0023 0.0209 0.0286
Entamoeba histolytica hypothetical protein 0.0035 0.0593 1
Plasmodium falciparum glucose-6-phosphate dehydrogenase-6-phosphogluconolactonase 0.0219 0.6206 1
Entamoeba histolytica acyl-coA synthetase, putative 0.0023 0.0217 0.02
Schistosoma mansoni Guanine nucleotide-binding protein G(s) subunit alpha (Adenylate cyclase-stimulating G alpha protein) 0.0089 0.2242 0.2242
Trypanosoma cruzi PAB1-binding protein , putative 0.0025 0.0271 0.0107
Leishmania major 4-coumarate:coa ligase-like protein 0.0023 0.0217 0.0013
Echinococcus multilocularis Basic leucine zipper (bZIP) transcription 0.0035 0.0593 0.0593
Echinococcus multilocularis expressed protein 0.0017 0.004 0.004
Loa Loa (eye worm) pre-SET domain-containing protein family protein 0.0251 0.7192 1
Brugia malayi AMP-binding enzyme family protein 0.0023 0.0217 0.0301
Schistosoma mansoni Guanine nucleotide-binding protein G(s) subunit alpha (Adenylate cyclase-stimulating G alpha protein) 0.0089 0.2242 0.2242
Echinococcus granulosus ferritin 0.0017 0.004 0.004
Mycobacterium ulcerans glucose-6-phosphate 1-dehydrogenase 0.0138 0.3725 0.6224
Mycobacterium ulcerans acyl-CoA synthetase 0.0023 0.0217 0.0299
Schistosoma mansoni transcription factor LCR-F1 0.0035 0.0593 0.0593
Loa Loa (eye worm) hypothetical protein 0.0097 0.2467 0.343
Loa Loa (eye worm) hypothetical protein 0.0025 0.0271 0.0376
Leishmania major 4-coumarate:coa ligase-like protein 0.0023 0.0217 0.0013
Echinococcus granulosus Basic leucine zipper bZIP transcription 0.0035 0.0593 0.0593
Plasmodium falciparum ataxin-2 like protein, putative 0.0025 0.0271 0.0375
Plasmodium falciparum AP endonuclease (DNA-[apurinic or apyrimidinic site] lyase), putative 0.0023 0.0209 0.0275
Entamoeba histolytica acyl-CoA synthetase, putative 0.0023 0.0217 0.02
Mycobacterium ulcerans bacterioferritin BfrB 0.0017 0.004 0.0001
Loa Loa (eye worm) hypothetical protein 0.0145 0.3935 0.5471
Toxoplasma gondii glucose-6-phosphate 1-dehydrogenase 0.0219 0.6206 1
Plasmodium falciparum ataxin-2 like protein, putative 0.0025 0.0271 0.0375
Brugia malayi calcium-independent alpha-latrotoxin receptor 2, putative 0.0031 0.0449 0.0625
Brugia malayi glucose-6-phosphate dehydrogenase 0.0211 0.596 0.8287
Schistosoma mansoni histone-lysine n-methyltransferase setb1 0.0036 0.0616 0.0616
Trypanosoma cruzi glucose-6-phosphate 1-dehydrogenase, putative 0.007 0.1651 0.2507
Loa Loa (eye worm) hypothetical protein 0.0017 0.0039 0.0055
Echinococcus granulosus expressed protein 0.0017 0.004 0.004
Schistosoma mansoni histone-lysine n-methyltransferase suv9 0.0036 0.0616 0.0616
Mycobacterium leprae PROBABLE FATTY-ACID-CoA LIGASE FADD2 (FATTY-ACID-CoA SYNTHETASE) (FATTY-ACID-CoA SYNTHASE) 0.0023 0.0217 1
Loa Loa (eye worm) glucose-6-phosphate dehydrogenase 0.0211 0.596 0.8287
Loa Loa (eye worm) latrophilin receptor protein 2 0.0031 0.0449 0.0625
Brugia malayi TAR-binding protein 0.0062 0.1413 0.1965
Trypanosoma brucei glucose-6-phosphate 1-dehydrogenase 0.0211 0.596 1
Mycobacterium ulcerans bacterioferritin BfrA 0.0017 0.004 0.0001
Mycobacterium ulcerans long-chain-fatty-acid--CoA ligase 0.0023 0.0217 0.0299
Echinococcus granulosus tar DNA binding protein 0.0062 0.1413 0.1413
Brugia malayi hypothetical protein 0.0147 0.3991 0.5549
Plasmodium vivax AP endonuclease (DNA-[apurinic or apyrimidinic site] lyase), putative 0.0023 0.0209 0.0275
Brugia malayi Pre-SET motif family protein 0.0251 0.7192 1
Brugia malayi Corticotropin releasing factor receptor 2 precursor, putative 0.0097 0.2467 0.343
Brugia malayi hypothetical protein 0.0035 0.0593 0.0825
Echinococcus granulosus guanine nucleotide binding protein Gs subunit 0.0089 0.2242 0.2242

Activities

Activity type Activity value Assay description Source Reference
Inhibition (binding) = 40 % Inhibition of Tet-induced Flag-tagged mouse TRPM7 expressed in HEK293 cells assessed as inhibition of channel-mediated cell death in presence of Mg2+ incubated for 24 to 48 hrs by propidium iodide uptake assay ChEMBL. No reference
Potency (functional) = 4.4668 um PUBCHEM_BIOASSAY: qHTS for inhibitors of ROR gamma transcriptional activity. (Class of assay: confirmatory) ChEMBL. No reference
Potency (functional) 7.9433 uM PubChem BioAssay. qHTS Assay for Inhibitors of the Human Apurinic/apyrimidinic Endonuclease 1 (APE1). (Class of assay: confirmatory) ChEMBL. No reference
Potency (functional) 11.2202 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) 22.3872 uM PubChem BioAssay. qHTS of GLP-1 Receptor Inverse Agonists (Inhibition Mode). (Class of assay: confirmatory) ChEMBL. No reference
Potency (functional) 22.3872 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) 29.081 uM PUBCHEM_BIOASSAY: qHTS screen for small molecules that inhibit ELG1-dependent DNA repair in human embryonic kidney (HEK293T) cells expressing luciferase-tagged ELG1. (Class of assay: confirmatory) [Related pubchem assays (depositor defined):AID493107, AID493125] ChEMBL. No reference
Potency (functional) 89.1251 uM PubChem BioAssay. qHTS Assay to Find Inhibitors of Pin1. (Class of assay: confirmatory) ChEMBL. No reference
Potency (functional) 112.2018 uM PubChem BioAssay. qHTS of PTHR Inhibitors: Primary Screen. (Class of assay: confirmatory) ChEMBL. No reference

Phenotypes

Whole-cell/tissue/organism interactions

We have no records of whole-cell/tissue assays done with this compound What does this mean?

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

Annotated phenotypes:

We have no manually annotated phenotypes for this drug. What does this mean? / Care to help?
In TDR Targets, information about phenotypes that are caused by drugs, or by genetic manipulation of cells (e.g. gene knockouts or knockdowns) is manually curated from the literature. These descriptions help to describe the potential of the target for drug development. If no information is available for this gene or if the information is incomplete, this may mean that i) the papers containing this information either appeared after the curation effort for this organism was carried out or they were inadvertently missed by curators; or that ii) the curation effort for this organism has not yet started.
 
In any case, if you have information about papers containing relevant validation data for this target, please log in using your TDR Targets username and password and send them to us using the corresponding form in this page (only visible to registered users) or contact us.

External resources for this compound

Bibliographic References

No literature references available for this target.

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