Detailed information for compound 1277614

Basic information

Technical information
  • TDR Targets ID: 1277614
  • Name: 2-[(4-methoxyphenyl)amino]-6-nitro-1,3-benzot hiazin-4-one
  • MW: 329.331 | Formula: C15H11N3O4S
  • H donors: 1 H acceptors: 3 LogP: 2.99 Rotable bonds: 4
    Rule of 5 violations (Lipinski): 1
  • SMILES: COc1ccc(cc1)Nc1nc(=O)c2c(s1)ccc(c2)[N+](=O)[O-]
  • InChi: 1S/C15H11N3O4S/c1-22-11-5-2-9(3-6-11)16-15-17-14(19)12-8-10(18(20)21)4-7-13(12)23-15/h2-8H,1H3,(H,16,17,19)
  • InChiKey: UAZVMKDQOXQMQF-UHFFFAOYSA-N  


Substructure search Similarity search

Network

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Synonyms

  • 2-[(E)-4-Methoxy-phenylimino]-6-nitro-2H-benzo[e][1,3]thiazin-4-ol
  • MLS000590826
  • SMR000217734

Targets

Known targets for this compound

Species Target name Source Bibliographic reference
Homo sapiens GNAS complex locus Starlite/ChEMBL No references
Homo sapiens myeloid cell leukemia 1 Starlite/ChEMBL No references
Homo sapiens APEX nuclease (multifunctional DNA repair enzyme) 1 Starlite/ChEMBL No references
Homo sapiens microtubule-associated protein tau Starlite/ChEMBL No references
Homo sapiens acid phosphatase 1, soluble Starlite/ChEMBL No references
Homo sapiens euchromatic histone-lysine N-methyltransferase 2 Starlite/ChEMBL No references

Predicted pathogen targets for this compound

By orthology
Species Potential target Known druggable target/s Ortholog Group
Schistosoma mansoni microtubule-associated protein tau Get druggable targets OG5_133504 All targets in OG5_133504
Leishmania donovani apurinic/apyrimidinic endonuclease-redox protein 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
Schistosoma mansoni Guanine nucleotide-binding protein G(s) subunit alpha (Adenylate cyclase-stimulating G alpha protein) Get druggable targets OG5_131088 All targets in OG5_131088
Echinococcus multilocularis guanine nucleotide binding protein G(s) subunit Get druggable targets OG5_131088 All targets in OG5_131088
Schistosoma mansoni Guanine nucleotide-binding protein G(s) subunit alpha (Adenylate cyclase-stimulating G alpha protein) Get druggable targets OG5_131088 All targets in OG5_131088
Trypanosoma congolense apurinic/apyrimidinic endonuclease, putative 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
Mycobacterium tuberculosis Phosphotyrosine protein phosphatase PtpA (protein-tyrosine-phosphatase) (PTPase) (LMW phosphatase) Get druggable targets OG5_127571 All targets in OG5_127571
Schistosoma japonicum ko:K10772 AP endonuclease 2, 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 cruzi apurinic/apyrimidinic endonuclease, putative 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
Echinococcus multilocularis microtubule associated protein 2 Get druggable targets OG5_133504 All targets in OG5_133504
Leishmania mexicana apurinic/apyrimidinic endonuclease-redox protein,AP-endonuclease 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 set domain proteins, putative Get druggable targets OG5_131470 All targets in OG5_131470
Neospora caninum hypothetical protein 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
Mycobacterium ulcerans phosphotyrosine protein phosphatase PtpA Get druggable targets OG5_127571 All targets in OG5_127571
Schistosoma japonicum DNA-(apurinic or apyrimidinic site) lyase 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
Brugia malayi exodeoxyribonuclease III family protein 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
Mycobacterium ulcerans exodeoxyribonuclease III protein XthA 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
Treponema pallidum exodeoxyribonuclease (exoA) 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
Trypanosoma cruzi apurinic/apyrimidinic endonuclease Get druggable targets OG5_126768 All targets in OG5_126768
Brugia malayi Low molecular weight phosphotyrosine protein phosphatase containing protein Get druggable targets OG5_127571 All targets in OG5_127571
Trichomonas vaginalis low molecular weight protein-tyrosine-phosphatase, putative Get druggable targets OG5_127571 All targets in OG5_127571
Candida albicans C terminus of potential Low molecular weight phosphoTyrosine Phosphatase Get druggable targets OG5_127571 All targets in OG5_127571
Schistosoma mansoni ap endonuclease Get druggable targets OG5_126768 All targets in OG5_126768
Brugia malayi GTP-binding regulatory protein Gs alpha-S chain, putative Get druggable targets OG5_131088 All targets in OG5_131088
Loa Loa (eye worm) GTP-binding regulatory protein Gs alpha-S chain Get druggable targets OG5_131088 All targets in OG5_131088
Echinococcus multilocularis DNA (apurinic or apyrimidinic site) lyase Get druggable targets OG5_126768 All targets in OG5_126768
Schistosoma japonicum ko:K04632 guanine nucleotide binding protein (G protein), alpha stimulating, putative Get druggable targets OG5_131088 All targets in OG5_131088
Echinococcus multilocularis guanine nucleotide binding protein G(s) subunit Get druggable targets OG5_131088 All targets in OG5_131088
Cryptosporidium hominis dna-(apurinic or apyrimidinic site) lyase Get druggable targets OG5_126768 All targets in OG5_126768
Echinococcus granulosus guanine nucleotide binding protein Gs subunit Get druggable targets OG5_131088 All targets in OG5_131088
Leishmania infantum apurinic/apyrimidinic endonuclease-redox protein 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
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
Trichomonas vaginalis low molecular weight protein-tyrosine-phosphatase, putative Get druggable targets OG5_127571 All targets in OG5_127571
Echinococcus granulosus DNA apurinic or apyrimidinic site lyase Get druggable targets OG5_126768 All targets in OG5_126768
Loa Loa (eye worm) phosphotyrosine protein phosphatase Get druggable targets OG5_127571 All targets in OG5_127571
Schistosoma mansoni Guanine nucleotide-binding protein G(s) subunit alpha (Adenylate cyclase-stimulating G alpha protein) Get druggable targets OG5_131088 All targets in OG5_131088
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
Schistosoma japonicum ko:K04380 microtubule-associated protein tau, putative Get druggable targets OG5_133504 All targets in OG5_133504
Entamoeba histolytica protein tyrosine phosphatase, putative Get druggable targets OG5_127571 All targets in OG5_127571
Trichomonas vaginalis low molecular weight protein tyrosine phosphatase, putative Get druggable targets OG5_127571 All targets in OG5_127571
Echinococcus granulosus guanine nucleotide binding protein Gs subunit Get druggable targets OG5_131088 All targets in OG5_131088
Schistosoma japonicum DNA-(apurinic or apyrimidinic site) lyase 2, putative 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
Trichomonas vaginalis ap endonuclease, putative Get druggable targets OG5_126768 All targets in OG5_126768
Entamoeba histolytica protein tyrosine phosphatase, putative Get druggable targets OG5_127571 All targets in OG5_127571
Plasmodium knowlesi AP endonuclease (DNA-[apurinic or apyrimidinic site] lyase), putative 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
Giardia lamblia Low molecular weight protein-tyrosine-phosphatase Get druggable targets OG5_127571 All targets in OG5_127571
Onchocerca volvulus Get druggable targets OG5_127571 All targets in OG5_127571
Trichomonas vaginalis low molecular weight protein-tyrosine-phosphatase, putative Get druggable targets OG5_127571 All targets in OG5_127571
Schistosoma mansoni ap endonuclease 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
Onchocerca volvulus Get druggable targets OG5_131470 All targets in OG5_131470
Toxoplasma gondii exonuclease III APE Get druggable targets OG5_126768 All targets in OG5_126768
Candida albicans 3' exon of potential Low molecular weight phosphoTyrosine Phosphatase gene Get druggable targets OG5_127571 All targets in OG5_127571
Theileria parva hypothetical protein 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
Trichomonas vaginalis ap endonuclease, putative Get druggable targets OG5_126768 All targets in OG5_126768
Trichomonas vaginalis low molecular weight protein tyrosine phosphatase, putative Get druggable targets OG5_127571 All targets in OG5_127571
Echinococcus granulosus microtubule associated protein 2 Get druggable targets OG5_133504 All targets in OG5_133504
Trichomonas vaginalis low molecular weight protein tyrosine phosphatase, putative Get druggable targets OG5_127571 All targets in OG5_127571
By sequence similarity to non orthologous known druggable targets
Species Potential target Known druggable target Length Alignment span Identity
Mycobacterium tuberculosis Probable acyl-[acyl-carrier protein] desaturase DesA1 (acyl-[ACP] desaturase) (stearoyl-ACP desaturase) (protein Des) acid phosphatase 1, soluble 112 aa 107 aa 24.3 %
Schistosoma mansoni GTP-binding protein alpha subunit gna GNAS complex locus 394 aa 450 aa 28.7 %
Obtained from network model

Ranking Plot

Putative Targets List

Species Potential target Raw Global Species
Schistosoma mansoni Guanine nucleotide-binding protein G(s) subunit alpha (Adenylate cyclase-stimulating G alpha protein) 0.0055 0.0427 0.0427
Mycobacterium tuberculosis Probable exodeoxyribonuclease III protein XthA (exonuclease III) (EXO III) (AP endonuclease VI) 0.0023 0.0026 0.0072
Trypanosoma brucei low molecular weight protein tyrosine phosphatase, putative 0.007 0.0604 1
Brugia malayi Low molecular weight phosphotyrosine protein phosphatase containing protein 0.0226 0.2526 0.8897
Mycobacterium ulcerans exodeoxyribonuclease III protein XthA 0.0023 0.0026 0.0047
Leishmania major hypothetical protein, conserved 0.007 0.0604 1
Trichomonas vaginalis low molecular weight protein-tyrosine-phosphatase, putative 0.0226 0.2526 0.7715
Brugia malayi Calcitonin receptor-like protein seb-1 0.0157 0.1678 0.5909
Echinococcus multilocularis guanine nucleotide binding protein G(s) subunit 0.0055 0.0427 0.0413
Schistosoma mansoni histone-lysine n-methyltransferase suv9 0.0036 0.019 0.019
Chlamydia trachomatis glutamate-1-semialdehyde-2,1-aminomutase 0.0022 0.0014 0.5
Schistosoma mansoni metabotropic glutamate receptor 0.0035 0.0182 0.0182
Echinococcus multilocularis microtubule associated protein 2 0.0833 1 1
Echinococcus granulosus Bcl 2 ous antagonist:killer 0.01 0.0977 0.0964
Schistosoma mansoni tar DNA-binding protein 0.0066 0.056 0.056
Loa Loa (eye worm) hypothetical protein 0.0157 0.1678 0.5871
Echinococcus multilocularis cadherin EGF LAG seven pass G type receptor 0.005 0.0358 0.0344
Loa Loa (eye worm) pigment dispersing factor receptor c 0.0157 0.1678 0.5871
Mycobacterium tuberculosis Probable aminotransferase 0.0153 0.1629 0.9757
Loa Loa (eye worm) apoptosis regulator protein 0.01 0.0977 0.3381
Echinococcus multilocularis EGFP:Bcl2 fusion protein 0.01 0.0977 0.0964
Loa Loa (eye worm) latrophilin receptor protein 2 0.005 0.0358 0.1179
Brugia malayi RNA binding protein 0.0066 0.056 0.1971
Brugia malayi GTP-binding regulatory protein Gs alpha-S chain, putative 0.0055 0.0427 0.1502
Brugia malayi Pre-SET motif family protein 0.0251 0.2839 1
Schistosoma mansoni hypothetical protein 0.005 0.0358 0.0358
Treponema pallidum exodeoxyribonuclease (exoA) 0.0023 0.0026 0.5
Entamoeba histolytica protein tyrosine phosphatase, putative 0.0226 0.2526 1
Echinococcus multilocularis guanine nucleotide binding protein G(s) subunit 0.0055 0.0427 0.0413
Schistosoma mansoni ornithine--oxo-acid transaminase 0.0022 0.0014 0.0014
Schistosoma mansoni tar DNA-binding protein 0.0066 0.056 0.056
Loa Loa (eye worm) hypothetical protein 0.01 0.0977 0.3381
Echinococcus multilocularis histone lysine methyltransferase setb histone lysine methyltransferase eggless 0.0036 0.019 0.0176
Schistosoma mansoni tar DNA-binding protein 0.0066 0.056 0.056
Echinococcus multilocularis tar DNA binding protein 0.0066 0.056 0.0546
Brugia malayi 4-aminobutyrate aminotransferase, mitochondrial precursor 0.0022 0.0014 0.0051
Echinococcus multilocularis GPCR, family 2 0.005 0.0358 0.0344
Schistosoma mansoni Guanine nucleotide-binding protein G(s) subunit alpha (Adenylate cyclase-stimulating G alpha protein) 0.0055 0.0427 0.0427
Schistosoma mansoni ap endonuclease 0.0023 0.0026 0.0026
Schistosoma mansoni hypothetical protein 0.0107 0.1067 0.1067
Loa Loa (eye worm) hypothetical protein 0.0036 0.019 0.0583
Toxoplasma gondii histone lysine methyltransferase SET/SUV39 0.0036 0.019 1
Entamoeba histolytica protein tyrosine phosphatase, putative 0.0226 0.2526 1
Mycobacterium ulcerans hypothetical protein 0.0153 0.1629 0.6429
Schistosoma mansoni hypothetical protein 0.005 0.0358 0.0358
Trichomonas vaginalis low molecular weight protein tyrosine phosphatase, putative 0.0226 0.2526 0.7715
Brugia malayi Metabotropic glutamate receptor precursor. 0.0042 0.0266 0.0938
Plasmodium vivax AP endonuclease (DNA-[apurinic or apyrimidinic site] lyase), putative 0.0023 0.0026 0.0673
Plasmodium vivax SET domain protein, putative 0.0036 0.019 1
Brugia malayi calcium-independent alpha-latrotoxin receptor 2, putative 0.005 0.0358 0.126
Schistosoma mansoni bcl-2 homologous antagonist/killer (bak) 0.01 0.0977 0.0977
Brugia malayi TAR-binding protein 0.0066 0.056 0.1971
Schistosoma mansoni ap endonuclease 0.0023 0.0026 0.0026
Echinococcus multilocularis DNA (apurinic or apyrimidinic site) lyase 0.0023 0.0026 0.0012
Brugia malayi Latrophilin receptor protein 2 0.005 0.0358 0.126
Echinococcus granulosus DNA apurinic or apyrimidinic site lyase 0.0023 0.0026 0.0012
Mycobacterium leprae PROBABLE ADENOSYLMETHIONINE-8-AMINO-7-OXONONANOATE AMINOTRANSFERASE BIOA 0.0153 0.1629 1
Echinococcus granulosus metabotropic glutamate receptor 5 0.0052 0.0386 0.0372
Schistosoma mansoni hypothetical protein 0.01 0.0977 0.0977
Loa Loa (eye worm) RNA binding protein 0.0066 0.056 0.1896
Loa Loa (eye worm) hypothetical protein 0.0052 0.0386 0.1279
Schistosoma mansoni histone-lysine n-methyltransferase setb1 0.0036 0.019 0.019
Echinococcus granulosus diuretic hormone 44 receptor GPRdih2 0.005 0.0358 0.0344
Echinococcus multilocularis Bcl 2 ous antagonist:killer 0.01 0.0977 0.0964
Schistosoma mansoni metabotropic glutamate receptor 2 3 (mglur group 2) 0.0048 0.0337 0.0337
Loa Loa (eye worm) pre-SET domain-containing protein family protein 0.0251 0.2839 1
Schistosoma mansoni hypothetical protein 0.01 0.0977 0.0977
Brugia malayi Pre-SET motif family protein 0.0036 0.019 0.0671
Schistosoma mansoni tar DNA-binding protein 0.0066 0.056 0.056
Schistosoma mansoni hypothetical protein 0.01 0.0977 0.0977
Loa Loa (eye worm) hypothetical protein 0.0107 0.1067 0.3699
Echinococcus granulosus cadherin EGF LAG seven pass G type receptor 0.005 0.0358 0.0344
Brugia malayi RNA recognition motif domain containing protein 0.0066 0.056 0.1971
Echinococcus granulosus guanine nucleotide binding protein Gs subunit 0.0055 0.0427 0.0413
Echinococcus multilocularis metabotropic glutamate receptor 5 0.0052 0.0386 0.0372
Brugia malayi Apoptosis regulator proteins, Bcl-2 family protein 0.01 0.0977 0.3442
Echinococcus multilocularis metabotropic glutamate receptor 2 0.0035 0.0182 0.0168
Onchocerca volvulus 0.0286 0.3266 1
Echinococcus granulosus EGFP:Bcl2 fusion protein 0.01 0.0977 0.0964
Mycobacterium tuberculosis Phosphotyrosine protein phosphatase PtpA (protein-tyrosine-phosphatase) (PTPase) (LMW phosphatase) 0.0156 0.1669 1
Echinococcus granulosus GPCR family 2 0.005 0.0358 0.0344
Trichomonas vaginalis set domain proteins, putative 0.0286 0.3266 1
Loa Loa (eye worm) RNA recognition domain-containing protein domain-containing protein 0.0066 0.056 0.1896
Echinococcus granulosus tar DNA binding protein 0.0066 0.056 0.0546
Onchocerca volvulus 0.0226 0.2526 0.7593
Schistosoma mansoni microtubule-associated protein tau 0.0833 1 1
Brugia malayi exodeoxyribonuclease III family protein 0.0023 0.0026 0.0093
Echinococcus granulosus guanine nucleotide binding protein Gs subunit 0.0055 0.0427 0.0413
Wolbachia endosymbiont of Brugia malayi exonuclease III 0.0023 0.0026 1
Trichomonas vaginalis low molecular weight protein tyrosine phosphatase, putative 0.007 0.0604 0.1782
Giardia lamblia Low molecular weight protein-tyrosine-phosphatase 0.0226 0.2526 1
Loa Loa (eye worm) phosphotyrosine protein phosphatase 0.0226 0.2526 0.8887
Echinococcus granulosus histone lysine methyltransferase setb 0.0036 0.019 0.0176
Plasmodium falciparum AP endonuclease (DNA-[apurinic or apyrimidinic site] lyase), putative 0.0023 0.0026 1
Trichomonas vaginalis acetylornithine aminotransferase, putative 0.0153 0.1629 0.4947
Trichomonas vaginalis low molecular weight protein tyrosine phosphatase, putative 0.0226 0.2526 0.7715
Echinococcus granulosus metabotropic glutamate receptor 2 0.0035 0.0182 0.0168
Mycobacterium ulcerans adenosylmethionine-8-amino-7-oxononanoate aminotransferase 0.0153 0.1629 0.6429
Schistosoma mansoni histone-lysine n-methyltransferase setb1 0.0036 0.019 0.019
Mycobacterium ulcerans phosphotyrosine protein phosphatase PtpA 0.0226 0.2526 1
Trichomonas vaginalis low molecular weight protein-tyrosine-phosphatase, putative 0.0226 0.2526 0.7715
Trichomonas vaginalis low molecular weight protein tyrosine phosphatase, putative 0.007 0.0604 0.1782
Schistosoma mansoni histone-lysine n-methyltransferase setb1 0.0036 0.019 0.019
Loa Loa (eye worm) TAR-binding protein 0.0066 0.056 0.1896
Brugia malayi metabotropic glutamate receptor subtype 5a (mGluR5a), putative 0.0038 0.0217 0.0766
Echinococcus granulosus 5'partial|histone lysine N methyltransferase SETDB2 0.0035 0.0174 0.016
Brugia malayi latrophilin 2 splice variant baaae 0.0107 0.1067 0.3757
Schistosoma mansoni hypothetical protein 0.005 0.0358 0.0358
Toxoplasma gondii exonuclease III APE 0.0023 0.0026 0.0673
Schistosoma mansoni tar DNA-binding protein 0.0066 0.056 0.056
Loa Loa (eye worm) GTP-binding regulatory protein Gs alpha-S chain 0.0055 0.0427 0.1423
Trypanosoma cruzi hypothetical protein, conserved 0.007 0.0604 1
Schistosoma mansoni apoptosis regulator bax 0.01 0.0977 0.0977
Schistosoma mansoni Guanine nucleotide-binding protein G(s) subunit alpha (Adenylate cyclase-stimulating G alpha protein) 0.0055 0.0427 0.0427
Schistosoma mansoni hypothetical protein 0.005 0.0358 0.0358
Brugia malayi Corticotropin releasing factor receptor 2 precursor, putative 0.0157 0.1678 0.5909
Echinococcus multilocularis diuretic hormone 44 receptor GPRdih2 0.005 0.0358 0.0344
Trypanosoma cruzi hypothetical protein, conserved 0.007 0.0604 1
Mycobacterium tuberculosis Adenosylmethionine-8-amino-7-oxononanoate aminotransferase BioA 0.0153 0.1629 0.9757
Trichomonas vaginalis low molecular weight protein tyrosine phosphatase, putative 0.0226 0.2526 0.7715
Loa Loa (eye worm) glutamate receptor 0.0042 0.0266 0.0853
Loa Loa (eye worm) hypothetical protein 0.005 0.0358 0.1179
Trichomonas vaginalis low molecular weight protein-tyrosine-phosphatase, putative 0.0226 0.2526 0.7715
Echinococcus multilocularis histone lysine N methyltransferase SETMAR 0.0036 0.019 0.0176

Activities

Activity type Activity value Assay description Source Reference
IC50 (functional) = 1.062328653 um PUBCHEM_BIOASSAY: Dose Response Confirmation for Mcl-1/Noxa Interaction Inhibitors. (Class of assay: confirmatory) [Related pubchem assays: 1022 (Primary screen preceding this dose-response assay.)] ChEMBL. No reference
IC50 (functional) 13.4 uM PubChem BioAssay. Dose response confirmation of small molecule inhibitors of Low Molecular Weight Protein Tyrosine Phosphatase, LMPTP, via a fluorescence intensity assay. (Class of assay: confirmatory) ChEMBL. No reference
IC50 (functional) 15.5 uM PubChem BioAssay. Dose response confirmation of small molecule inhibitors of Low Molecular Weight Protein Tyrosine Phosphatase, LMPTP, in an orthogonal absorbance-based assay. (Class of assay: confirmatory) ChEMBL. No reference
IC50 (functional) > 50 um PUBCHEM_BIOASSAY: Dose Response Confirmation for Calpain Inhibitors. (Class of assay: confirmatory) [Related pubchem assays: 1236 (Primary screen preceding this confirmatory assay.)] ChEMBL. No reference
IC50 (functional) 80 uM PubChem BioAssay. Dose response confirmation of small molecule inhibitors of Low Molecular Weight Protein Tyrosine Phosphatase, LMPTP, in a fluorescence-based, Lymphoid Phosphatase (PTPN22, LYP-1) selectivity Assay. (Class of assay: confirmatory) ChEMBL. No reference
Potency (binding) = 1.5849 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) 2.5119 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) 3.9811 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) 17.7828 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) 19.9526 uM PubChem BioAssay. qHTS Assay for Inhibitors of the Human Apurinic/apyrimidinic Endonuclease 1 (APE1). (Class of assay: confirmatory) ChEMBL. No reference
Potency (functional) 79.4328 uM PUBCHEM_BIOASSAY: qHTS Assay for Inhibitors of BAZ2B. (Class of assay: confirmatory) [Related pubchem assays (depositor defined):AID504391] ChEMBL. No reference
Potency (functional) = 89.1251 um PUBCHEM_BIOASSAY: qHTS Assay for Inhibitors of Bacillus subtilis Sfp phosphopantetheinyl transferase (PPTase). (Class of assay: confirmatory) ChEMBL. No reference
Potency (functional) 100 uM PUBCHEM_BIOASSAY: HTS for Inhibitors of HP1-beta Chromodomain Interactions with Methylated Histone Tails. (Class of assay: confirmatory) [Related pubchem assays (depositor defined):AID488962] ChEMBL. No reference

Phenotypes

Whole-cell/tissue/organism interactions

Species name Source Reference Is orphan
Homo sapiens ChEMBL23

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

Annotated phenotypes:

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

External resources for this compound

Bibliographic References

No literature references available for this target.

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