Detailed information for compound 1456927

Basic information

Technical information
  • TDR Targets ID: 1456927
  • Name: 2-[[4-ethyl-5-[4-(4-methylpiperazin-1-yl)sulf onylphenyl]-1,2,4-triazol-3-yl]sulfanyl]-N-(5 -methyl-1,2-oxazol-3-yl)acetamide
  • MW: 505.614 | Formula: C21H27N7O4S2
  • H donors: 1 H acceptors: 6 LogP: 1.28 Rotable bonds: 9
    Rule of 5 violations (Lipinski): 2
  • SMILES: CCn1c(SCC(=O)Nc2noc(c2)C)nnc1c1ccc(cc1)S(=O)(=O)N1CCN(CC1)C
  • InChi: 1S/C21H27N7O4S2/c1-4-28-20(23-24-21(28)33-14-19(29)22-18-13-15(2)32-25-18)16-5-7-17(8-6-16)34(30,31)27-11-9-26(3)10-12-27/h5-8,13H,4,9-12,14H2,1-3H3,(H,22,25,29)
  • InChiKey: BUMOAENNCQGXKE-UHFFFAOYSA-N  


Substructure search Similarity search

Network

Hover on a compound node to display the structore

Synonyms

  • 2-[[4-ethyl-5-[4-(4-methylpiperazin-1-yl)sulfonylphenyl]-1,2,4-triazol-3-yl]sulfanyl]-N-(5-methylisoxazol-3-yl)acetamide
  • 2-[[4-ethyl-5-[4-[(4-methyl-1-piperazinyl)sulfonyl]phenyl]-1,2,4-triazol-3-yl]thio]-N-(5-methyl-3-isoxazolyl)acetamide
  • 2-[[4-ethyl-5-[4-(4-methylpiperazin-1-yl)sulfonylphenyl]-1,2,4-triazol-3-yl]thio]-N-(5-methylisoxazol-3-yl)acetamide
  • 2-[[4-ethyl-5-[4-(4-methylpiperazin-1-yl)sulfonylphenyl]-1,2,4-triazol-3-yl]sulfanyl]-N-(5-methyl-1,2-oxazol-3-yl)ethanamide
  • ASN 03366550
  • 2-{4-Ethyl-5-[4-(4-methyl-piperazine-1-sulfonyl)-phenyl]-4H-[1,2,4]triazol-3-ylsulfanyl}-N-(5-methyl-isoxazol-3-yl)-acetamide
  • MLS000523296
  • SMR000123274
  • Oprea1_669735

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

Predicted pathogen targets for this compound

By orthology
Species Potential target Known druggable target/s Ortholog Group
Echinococcus granulosus DNA apurinic or apyrimidinic site lyase 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
Cryptosporidium hominis dna-(apurinic or apyrimidinic site) lyase 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
Leishmania mexicana apurinic/apyrimidinic endonuclease-redox protein,AP-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 knowlesi AP endonuclease (DNA-[apurinic or apyrimidinic site] lyase), putative 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
Schistosoma mansoni ap endonuclease 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
Schistosoma japonicum ko:K10772 AP endonuclease 2, 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
Schistosoma japonicum DNA-(apurinic or apyrimidinic site) lyase 2, 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
Mycobacterium ulcerans exodeoxyribonuclease III protein XthA 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
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
Schistosoma mansoni ap endonuclease 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
Schistosoma japonicum DNA-(apurinic or apyrimidinic site) lyase 2, putative 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
Trypanosoma brucei gambiense apurinic/apyrimidinic endonuclease, putative Get druggable targets OG5_126768 All targets in OG5_126768
Neospora caninum hypothetical protein 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
Trichomonas vaginalis ap endonuclease, putative Get druggable targets OG5_126768 All targets in OG5_126768
Leishmania infantum apurinic/apyrimidinic endonuclease-redox protein 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
Trypanosoma cruzi apurinic/apyrimidinic endonuclease, putative 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
Trypanosoma congolense apurinic/apyrimidinic endonuclease, putative 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
Giardia lamblia Endonuclease/Exonuclease/phosphatase 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
Brugia malayi exodeoxyribonuclease III family protein 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
Trypanosoma brucei apurinic/apyrimidinic endonuclease, putative 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
Wolbachia endosymbiont of Brugia malayi exonuclease III 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
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
Schistosoma mansoni nAChR subunit 0.0054 0.0138 0.0332
Echinococcus multilocularis glycine receptor subunit beta 0.0054 0.0138 0.0332
Brugia malayi exodeoxyribonuclease III family protein 0.0038 0.0019 0.0019
Echinococcus multilocularis glycine receptor subunit alpha 1 0.0054 0.0138 0.0332
Schistosoma mansoni hypothetical protein 0.0112 0.0578 0.1394
Brugia malayi MH1 domain containing protein 0.0051 0.0116 0.0116
Schistosoma mansoni Guanine nucleotide-binding protein G(s) subunit alpha (Adenylate cyclase-stimulating G alpha protein) 0.0045 0.007 0.0169
Loa Loa (eye worm) hypothetical protein 0.0054 0.0138 0.0119
Loa Loa (eye worm) hypothetical protein 0.0054 0.0138 0.0119
Schistosoma mansoni Guanine nucleotide-binding protein G(s) subunit alpha (Adenylate cyclase-stimulating G alpha protein) 0.0045 0.007 0.0169
Echinococcus granulosus nicotinic acetylcholine receptor alpha subunit 0.0359 0.246 0.5929
Echinococcus granulosus endonuclease exonuclease phosphatase 0.0191 0.1181 0.2847
Loa Loa (eye worm) MH2 domain-containing protein 0.0041 0.0041 0.0023
Schistosoma mansoni Smad4 0.0041 0.0041 0.0099
Giardia lamblia Endonuclease/Exonuclease/phosphatase 0.0038 0.0019 0.5
Toxoplasma gondii isocitrate dehydrogenase 0.0049 0.0101 0.1681
Loa Loa (eye worm) hypothetical protein 0.0054 0.0138 0.0119
Loa Loa (eye worm) transcription factor SMAD2 0.1351 1 1
Loa Loa (eye worm) hypothetical protein 0.0054 0.0138 0.0119
Echinococcus granulosus nicotinic acetylcholine receptor a11 subunit 0.0359 0.246 0.5929
Echinococcus multilocularis NADP dependent isocitrate dehydrogenase 0.0049 0.0101 0.0244
Loa Loa (eye worm) nicotinic acetylcholine receptor non-alpha subunit 0.0054 0.0138 0.0119
Schistosoma mansoni Guanine nucleotide-binding protein G(s) subunit alpha (Adenylate cyclase-stimulating G alpha protein) 0.0045 0.007 0.0169
Echinococcus multilocularis neuronal acetylcholine receptor subunit alpha 4 0.0054 0.0138 0.0332
Loa Loa (eye worm) pigment dispersing factor receptor c 0.0353 0.2415 0.2401
Echinococcus granulosus nicotinic acetylcholine receptor subunit type 0.0054 0.0138 0.0332
Loa Loa (eye worm) hypothetical protein 0.0054 0.0138 0.0119
Echinococcus granulosus histone acetyltransferase MYST2 0.0053 0.0131 0.0316
Echinococcus granulosus geminin 0.0166 0.099 0.2385
Loa Loa (eye worm) MH1 domain-containing protein 0.0041 0.0041 0.0023
Onchocerca volvulus Polycomb protein Sfmbt homolog 0.0047 0.0082 0.0169
Echinococcus multilocularis isocitrate dehydrogenase 2 (NADP+) 0.0049 0.0101 0.0244
Brugia malayi gamma-aminobutyric-acid receptor beta subunit precursor 0.0054 0.0138 0.0138
Onchocerca volvulus 0.0054 0.0138 0.0397
Brugia malayi acetylcholine receptor protein, alpha-like chain, putative 0.0054 0.0138 0.0138
Echinococcus multilocularis glycine receptor subunit beta 0.0054 0.0138 0.0332
Schistosoma mansoni ap endonuclease 0.0038 0.0019 0.0045
Echinococcus granulosus mothers against decapentaplegic 6 0.0041 0.0041 0.0099
Onchocerca volvulus 0.0047 0.0082 0.0169
Toxoplasma gondii LsmAD domain-containing protein 0.0103 0.0511 1
Leishmania major hypothetical protein, conserved 0.0103 0.0511 1
Echinococcus granulosus smad 0.0092 0.0428 0.1032
Schistosoma mansoni nAChR subunit (ShAR1-beta-like) 0.0054 0.0138 0.0332
Onchocerca volvulus 0.0054 0.0138 0.0397
Schistosoma mansoni smad 0.0041 0.0041 0.0099
Echinococcus granulosus nicotinic acetylcholine receptor beta 1 subunit 0.0054 0.0138 0.0332
Echinococcus granulosus Cys loop ligand gated ion channel subunit 0.0054 0.0138 0.0332
Brugia malayi mothers against decapentaplegic homolog 3 0.0041 0.0041 0.0041
Loa Loa (eye worm) hypothetical protein 0.0053 0.0131 0.0113
Brugia malayi MH1 domain containing protein 0.0051 0.0116 0.0116
Brugia malayi nicotinic acetylcholine receptor alpha subunit, putative 0.0359 0.246 0.246
Loa Loa (eye worm) MH1 domain-containing protein 0.0092 0.0428 0.041
Echinococcus multilocularis Ataxin 2, N terminal,domain containing protein 0.0046 0.008 0.0192
Echinococcus multilocularis mothers against decapentaplegic 5 0.0092 0.0428 0.1032
Loa Loa (eye worm) hypothetical protein 0.0242 0.1565 0.1549
Brugia malayi Neurotransmitter-gated ion-channel transmembrane region family protein 0.0054 0.0138 0.0138
Onchocerca volvulus 0.0054 0.0138 0.0397
Schistosoma mansoni myelin transcription factor 1 myt1 0.0053 0.0131 0.0316
Brugia malayi Neurotransmitter-gated ion-channel ligand binding domain containing protein 0.0054 0.0138 0.0138
Onchocerca volvulus Rap guanine nucleotide exchange factor 1 homolog 0.036 0.2465 1
Echinococcus multilocularis suppression of tumorigenicity 18 protein 0.0053 0.0131 0.0316
Echinococcus granulosus glycine receptor subunit alpha 1 0.0054 0.0138 0.0332
Leishmania major isocitrate dehydrogenase [NADP], mitochondrial precursor, putative 0.0049 0.0101 0.1681
Schistosoma mansoni hypothetical protein 0.0166 0.099 0.2385
Brugia malayi C2-HC type zinc finger protein C.e-MyT1 0.0053 0.0131 0.0131
Echinococcus granulosus glycine receptor subunit alpha 1 0.0054 0.0138 0.0332
Schistosoma mansoni smad1 5 8 and 0.0092 0.0428 0.1032
Schistosoma mansoni Smad4 0.0041 0.0041 0.0099
Schistosoma mansoni Cys-loop ligand gated ion channel subunit 0.0054 0.0138 0.0332
Schistosoma mansoni TGF-beta signal transducer Smad2 0.0092 0.0428 0.1032
Loa Loa (eye worm) TAR-binding protein 0.0581 0.4149 0.4138
Onchocerca volvulus 0.0054 0.0138 0.0397
Echinococcus granulosus glycine receptor subunit beta 0.0054 0.0138 0.0332
Loa Loa (eye worm) hypothetical protein 0.0054 0.0138 0.0119
Echinococcus multilocularis Cys loop ligand gated ion channel subunit 0.0054 0.0138 0.0332
Brugia malayi Latrophilin receptor protein 2 0.0112 0.0578 0.0578
Loa Loa (eye worm) Smad1 0.0092 0.0428 0.041
Brugia malayi mbt repeat family protein 0.0047 0.0082 0.0082
Brugia malayi latrophilin 2 splice variant baaae 0.0242 0.1565 0.1565
Brugia malayi N-terminal motif family protein 0.036 0.2465 0.2465
Schistosoma mansoni tar DNA-binding protein 0.0581 0.4149 1
Brugia malayi Neurotransmitter-gated ion-channel ligand binding domain containing protein 0.0054 0.0138 0.0138
Echinococcus multilocularis geminin 0.0166 0.099 0.2385
Schistosoma mansoni tar DNA-binding protein 0.0581 0.4149 1
Schistosoma mansoni hypothetical protein 0.0291 0.1938 0.4671
Loa Loa (eye worm) hypothetical protein 0.0054 0.0138 0.0119
Echinococcus multilocularis isocitrate dehydrogenase 0.0049 0.0101 0.0244
Echinococcus granulosus SAM and MBT domain containing protein 0.0047 0.0082 0.0198
Echinococcus multilocularis glycine receptor subunit alpha 1 0.0054 0.0138 0.0332
Schistosoma mansoni NADP-specific isocitrate dehydrogenase 0.0049 0.0101 0.0244
Loa Loa (eye worm) hypothetical protein 0.0041 0.0041 0.0023
Brugia malayi Calcitonin receptor-like protein seb-1 0.0353 0.2415 0.2415
Loa Loa (eye worm) glutamate-gated chloride channel alpha3A subunit 0.0054 0.0138 0.0119
Schistosoma mansoni nAChR subunit (ShAR1-alpha-like) 0.0054 0.0138 0.0332
Loa Loa (eye worm) ACC-1 protein 0.0054 0.0138 0.0119
Loa Loa (eye worm) hypothetical protein 0.0054 0.0138 0.0119
Loa Loa (eye worm) hypothetical protein 0.0054 0.0138 0.0119
Trypanosoma cruzi PAB1-binding protein , putative 0.0103 0.0511 1
Plasmodium falciparum ataxin-2 like protein, putative 0.0103 0.0511 1
Brugia malayi MH1 domain containing protein 0.0092 0.0428 0.0428
Schistosoma mansoni smad1 5 8 and 0.0092 0.0428 0.1032
Brugia malayi acetylcholine receptor, alpha-type subunit unc-38 precursor 0.0054 0.0138 0.0138
Loa Loa (eye worm) acetylcholine receptor alpha subunit 0.0054 0.0138 0.0119
Echinococcus multilocularis nAChR subunit 0.0054 0.0138 0.0332
Echinococcus granulosus DNA apurinic or apyrimidinic site lyase 0.0038 0.0019 0.0045
Loa Loa (eye worm) ligand-Gated ion Channel family member 0.0054 0.0138 0.0119
Loa Loa (eye worm) hypothetical protein 0.0353 0.2415 0.2401
Brugia malayi Cation transporter family protein 0.0054 0.0138 0.0138
Brugia malayi Neurotransmitter-gated ion-channel transmembrane region family protein 0.0054 0.0138 0.0138
Echinococcus multilocularis NADP dependent isocitrate dehydrogenase 0.0049 0.0101 0.0244
Trypanosoma cruzi isocitrate dehydrogenase, putative 0.0049 0.0101 0.1681
Echinococcus multilocularis mothers against decapentaplegic 2 0.0041 0.0041 0.0099
Schistosoma mansoni Cys-loop ligand gated ion channel subunit 0.0054 0.0138 0.0332
Echinococcus multilocularis nicotinic acetylcholine receptor beta 1 subunit 0.0054 0.0138 0.0332
Trypanosoma cruzi isocitrate dehydrogenase [NADP], mitochondrial precursor, putative 0.0049 0.0101 0.1681
Schistosoma mansoni smad1 5 8 and 0.0092 0.0428 0.1032
Echinococcus multilocularis nicotinic acetylcholine receptor subunit alpha 8 0.0359 0.246 0.5929
Brugia malayi TAR-binding protein 0.0581 0.4149 0.4149
Loa Loa (eye worm) hypothetical protein 0.0359 0.246 0.2446
Brugia malayi GTP-binding regulatory protein Gs alpha-S chain, putative 0.0045 0.007 0.007
Brugia malayi Neurotransmitter-gated ion-channel ligand binding domain containing protein 0.0054 0.0138 0.0138
Echinococcus granulosus nicotinic acetylcholine receptor subunit alpha 8 0.0359 0.246 0.5929
Echinococcus multilocularis NADP dependent isocitrate dehydrogenase 0.0049 0.0101 0.0244
Entamoeba histolytica exodeoxyribonuclease III, putative 0.0038 0.0019 1
Echinococcus granulosus guanine nucleotide binding protein Gs subunit 0.0045 0.007 0.0169
Echinococcus granulosus tar DNA binding protein 0.0581 0.4149 1
Brugia malayi MH2 domain containing protein 0.0092 0.0428 0.0428
Loa Loa (eye worm) MH2 domain-containing protein 0.0092 0.0428 0.041
Trypanosoma brucei isocitrate dehydrogenase [NADP], mitochondrial precursor, putative 0.0049 0.0101 0.1681
Brugia malayi Hypothetical glycine receptor like protein T20B12.9 in chromosome III 0.0054 0.0138 0.0138
Echinococcus multilocularis polycomb protein SCMH1 0.0047 0.0082 0.0198
Echinococcus multilocularis cadherin EGF LAG seven pass G type receptor 0.0112 0.0578 0.1394
Loa Loa (eye worm) hypothetical protein 0.0112 0.0578 0.0561
Plasmodium vivax isocitrate dehydrogenase [NADP], mitochondrial, putative 0.0049 0.0101 0.1681
Loa Loa (eye worm) RNA recognition domain-containing protein domain-containing protein 0.0581 0.4149 0.4138
Schistosoma mansoni nAChR subunit (ShAR1-beta2-like) 0.0054 0.0138 0.0332
Trypanosoma brucei isocitrate dehydrogenase, putative 0.0049 0.0101 0.1681
Echinococcus granulosus glycine receptor subunit beta 0.0054 0.0138 0.0332
Schistosoma mansoni hypothetical protein 0.0242 0.1565 0.3772
Schistosoma mansoni hypothetical protein 0.0046 0.008 0.0192
Schistosoma mansoni Cys-loop ligand gated ion channel subunit 0.0054 0.0138 0.0332
Loa Loa (eye worm) hypothetical protein 0.0054 0.0138 0.0119
Treponema pallidum exodeoxyribonuclease (exoA) 0.0038 0.0019 0.5
Schistosoma mansoni hypothetical protein 0.0166 0.099 0.2385
Brugia malayi MH1 domain containing protein 0.0092 0.0428 0.0428
Plasmodium falciparum isocitrate dehydrogenase [NADP], mitochondrial 0.0049 0.0101 0.1681
Echinococcus multilocularis diuretic hormone 44 receptor GPRdih2 0.0112 0.0578 0.1394
Trichomonas vaginalis ap endonuclease, putative 0.0038 0.0019 0.5
Trypanosoma brucei PAB1-binding protein , putative 0.0103 0.0511 1
Brugia malayi Cation transporter family protein 0.0054 0.0138 0.0138
Schistosoma mansoni nAChR subunit 0.0054 0.0138 0.0332
Loa Loa (eye worm) hypothetical protein 0.0054 0.0138 0.0119
Echinococcus multilocularis Smad4 0.0092 0.0428 0.1032
Brugia malayi nicotinic acetylcholine receptor beta-1 chain precursor 0.0054 0.0138 0.0138
Schistosoma mansoni nAChR subunit 0.0054 0.0138 0.0332
Schistosoma mansoni smad 0.0092 0.0428 0.1032
Loa Loa (eye worm) mbt repeat family protein 0.0047 0.0082 0.0064
Loa Loa (eye worm) excitatory GABA receptor EXP-1A 0.0054 0.0138 0.0119
Echinococcus multilocularis histone acetyltransferase MYST2 0.0053 0.0131 0.0316
Loa Loa (eye worm) hypothetical protein 0.0054 0.0138 0.0119
Schistosoma mansoni sex comb on midleg homolog 0.0047 0.0082 0.0198
Echinococcus multilocularis glycine receptor subunit alpha 1 0.0054 0.0138 0.0332
Plasmodium vivax ataxin-2 like protein, putative 0.0103 0.0511 1
Echinococcus granulosus Smad4 0.0092 0.0428 0.1032
Brugia malayi Neurotransmitter-gated ion-channel ligand binding domain containing protein 0.0054 0.0138 0.0138
Echinococcus granulosus glycine receptor subunit alpha 1 0.0054 0.0138 0.0332
Onchocerca volvulus 0.0054 0.0138 0.0397
Trichomonas vaginalis ap endonuclease, putative 0.0038 0.0019 0.5
Wolbachia endosymbiont of Brugia malayi exonuclease III 0.0038 0.0019 0.5
Echinococcus granulosus NADP dependent isocitrate dehydrogenase 0.0049 0.0101 0.0244
Echinococcus multilocularis GPCR, family 2 0.0112 0.0578 0.1394
Loa Loa (eye worm) hypothetical protein 0.0054 0.0138 0.0119
Echinococcus multilocularis tar DNA binding protein 0.0581 0.4149 1
Onchocerca volvulus 0.0054 0.0138 0.0397
Schistosoma mansoni nAChR subunit 0.0054 0.0138 0.0332
Loa Loa (eye worm) hypothetical protein 0.0054 0.0138 0.0119
Brugia malayi Corticotropin releasing factor receptor 2 precursor, putative 0.0353 0.2415 0.2415
Brugia malayi Neurotransmitter-gated ion-channel ligand binding domain containing protein 0.0054 0.0138 0.0138
Mycobacterium tuberculosis Probable isocitrate dehydrogenase [NADP] Icd1 (oxalosuccinate decarboxylase) (IDH) (NADP+-specific ICDH) (IDP) 0.0049 0.0101 1
Echinococcus granulosus suppression of tumorigenicity 18 protein 0.0053 0.0131 0.0316
Loa Loa (eye worm) hypothetical protein 0.0054 0.0138 0.0119
Schistosoma mansoni ap endonuclease 0.0038 0.0019 0.0045
Echinococcus multilocularis guanine nucleotide binding protein G(s) subunit 0.0045 0.007 0.0169
Loa Loa (eye worm) latrophilin receptor protein 2 0.0112 0.0578 0.0561
Loa Loa (eye worm) hypothetical protein 0.0103 0.0511 0.0494
Echinococcus granulosus acetylcholine receptor subunit beta 1 0.0054 0.0138 0.0332
Brugia malayi MH2 domain containing protein 0.0092 0.0428 0.0428
Echinococcus granulosus TGF beta signal transducer SmadC 0.0092 0.0428 0.1032
Schistosoma mansoni hypothetical protein 0.0112 0.0578 0.1394
Echinococcus multilocularis TGF beta signal transducer SmadC 0.0092 0.0428 0.1032
Loa Loa (eye worm) GTP-binding regulatory protein Gs alpha-S chain 0.0045 0.007 0.0052
Brugia malayi mbt repeat family protein 0.0047 0.0082 0.0082
Loa Loa (eye worm) RNA binding protein 0.0581 0.4149 0.4138
Schistosoma mansoni hypothetical protein 0.0112 0.0578 0.1394
Schistosoma mansoni tar DNA-binding protein 0.0581 0.4149 1
Echinococcus granulosus mothers against decapentaplegic 2 0.0041 0.0041 0.0099
Brugia malayi hypothetical protein 0.0066 0.0234 0.0234
Brugia malayi isocitrate dehydrogenase 0.0049 0.0101 0.0101
Brugia malayi RNA binding protein 0.0581 0.4149 0.4149
Schistosoma mansoni nAChR subunit 0.0054 0.0138 0.0332
Brugia malayi Neurotransmitter-gated ion-channel transmembrane region family protein 0.0054 0.0138 0.0138
Echinococcus multilocularis nicotinic acetylcholine receptor a11 subunit 0.0359 0.246 0.5929
Loa Loa (eye worm) hypothetical protein 0.0054 0.0138 0.0119
Echinococcus multilocularis smad 0.0092 0.0428 0.1032
Echinococcus multilocularis acetylcholine receptor subunit beta 1 0.0054 0.0138 0.0332
Mycobacterium ulcerans exodeoxyribonuclease III protein XthA 0.0038 0.0019 0.5
Loa Loa (eye worm) hypothetical protein 0.0051 0.0116 0.0097
Brugia malayi Smad1 0.0092 0.0428 0.0428
Schistosoma mansoni tar DNA-binding protein 0.0581 0.4149 1
Echinococcus multilocularis endonuclease exonuclease phosphatase 0.0191 0.1181 0.2847
Trypanosoma cruzi PAB1-binding protein , putative 0.0103 0.0511 1
Echinococcus granulosus mothers against decapentaplegic 5 0.0092 0.0428 0.1032
Schistosoma mansoni sex comb on midleg homolog 0.0047 0.0082 0.0198
Onchocerca volvulus Putative nachr subunit 0.0359 0.246 0.9979
Echinococcus granulosus guanine nucleotide binding protein Gs subunit 0.0045 0.007 0.0169
Echinococcus multilocularis nicotinic acetylcholine receptor alpha subunit 0.0359 0.246 0.5929
Echinococcus granulosus nAChR subunit 0.0054 0.0138 0.0332
Schistosoma mansoni scm-relatedprotein containing 4 mbt domains (sfmbt) 0.0047 0.0082 0.0198
Loa Loa (eye worm) hypothetical protein 0.0054 0.0138 0.0119
Echinococcus granulosus GPCR family 2 0.0112 0.0578 0.1394
Echinococcus multilocularis SAM and MBT domain containing protein 0.0047 0.0082 0.0198
Echinococcus multilocularis DNA (apurinic or apyrimidinic site) lyase 0.0038 0.0019 0.0045
Brugia malayi Cation transporter family protein 0.0054 0.0138 0.0138
Echinococcus granulosus polycomb protein SCMH1 0.0047 0.0082 0.0198
Echinococcus multilocularis guanine nucleotide binding protein G(s) subunit 0.0045 0.007 0.0169
Echinococcus granulosus diuretic hormone 44 receptor GPRdih2 0.0112 0.0578 0.1394
Brugia malayi RNA recognition motif domain containing protein 0.0581 0.4149 0.4149
Loa Loa (eye worm) ACC-1 protein 0.0054 0.0138 0.0119
Loa Loa (eye worm) MBCTL1 0.0053 0.0131 0.0113
Brugia malayi acetylcholine receptor alpha subunit precursor, putative 0.0054 0.0138 0.0138
Schistosoma mansoni hypothetical protein 0.0112 0.0578 0.1394
Plasmodium falciparum ataxin-2 like protein, putative 0.0103 0.0511 1
Schistosoma mansoni nAChR subunit 0.0054 0.0138 0.0332
Loa Loa (eye worm) nuclear factor I 0.0051 0.0116 0.0097
Echinococcus multilocularis mothers against decapentaplegic 6 0.0041 0.0041 0.0099
Brugia malayi Neurotransmitter-gated ion-channel ligand binding domain containing protein 0.0054 0.0138 0.0138
Brugia malayi Isocitrate dehydrogenase 0.0049 0.0101 0.0101
Loa Loa (eye worm) hypothetical protein 0.0054 0.0138 0.0119
Schistosoma mansoni Smad4 0.0092 0.0428 0.1032
Brugia malayi MH2 domain containing protein 0.0041 0.0041 0.0041
Loa Loa (eye worm) hypothetical protein 0.036 0.2465 0.2451
Brugia malayi excitatory GABA receptor EXP-1A 0.0054 0.0138 0.0138
Loa Loa (eye worm) hypothetical protein 0.0047 0.0082 0.0064
Loa Loa (eye worm) nicotinic acetylcholine receptor alpha subunit 0.0359 0.246 0.2446
Schistosoma mansoni tar DNA-binding protein 0.0581 0.4149 1
Brugia malayi calcium-independent alpha-latrotoxin receptor 2, putative 0.0112 0.0578 0.0578
Echinococcus granulosus cadherin EGF LAG seven pass G type receptor 0.0112 0.0578 0.1394
Loa Loa (eye worm) LGC-31 protein 0.0054 0.0138 0.0119
Loa Loa (eye worm) isocitrate dehydrogenase 0.0049 0.0101 0.0083
Schistosoma mansoni nAChR subunit 0.0054 0.0138 0.0332
Echinococcus granulosus neuronal acetylcholine receptor subunit alpha 4 0.0054 0.0138 0.0332
Brugia malayi hypothetical protein 0.0103 0.0511 0.0511
Loa Loa (eye worm) MH2 domain-containing protein 0.1351 1 1
Echinococcus granulosus Ataxin 2 N terminaldomain containing protein 0.0046 0.008 0.0192
Toxoplasma gondii isocitrate dehydrogenase 0.0049 0.0101 0.1681

Activities

Activity type Activity value Assay description Source Reference
Potency (functional) 0.1122 uM PubChem BioAssay. qHTS Assay for Inhibitors of the Human Apurinic/apyrimidinic Endonuclease 1 (APE1). (Class of assay: confirmatory) ChEMBL. No reference
Potency (functional) 3.2629 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) 28.1838 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) 28.1838 uM PUBCHEM_BIOASSAY: qHTS for Inhibitors of TGF-b. (Class of assay: confirmatory) [Related pubchem assays (depositor defined):AID588856, AID588860] ChEMBL. No reference
Potency (functional) = 31.6228 um PUBCHEM_BIOASSAY: qHTS Assay for Inhibitors of Human Jumonji Domain Containing 2E (JMJD2E). (Class of assay: confirmatory) ChEMBL. No reference
Potency (functional) 100 uM PUBCHEM_BIOASSAY: qHTS for Inhibitors of Polymerase Iota. (Class of assay: confirmatory) [Related pubchem assays (depositor defined):AID588623] ChEMBL. No reference

Phenotypes

Whole-cell/tissue/organism interactions

Species name Source Reference Is orphan
Homo sapiens ChEMBL23

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

Annotated phenotypes:

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

External resources for this compound

Bibliographic References

No literature references available for this target.

If you have references for this compound, please enter them in a user comment (below) or Contact us.