Detailed information for compound 844136

Basic information

Technical information
  • TDR Targets ID: 844136
  • Name: 4-methyl-N-[(3-methylphenyl)methyl]-2,3-dihyd ro-1,4-benzothiazine-6-carboxamide
  • MW: 312.429 | Formula: C18H20N2OS
  • H donors: 1 H acceptors: 1 LogP: 3.47 Rotable bonds: 4
    Rule of 5 violations (Lipinski): 1
  • SMILES: Cc1cccc(c1)CNC(=O)c1ccc2c(c1)N(C)CCS2
  • InChi: 1S/C18H20N2OS/c1-13-4-3-5-14(10-13)12-19-18(21)15-6-7-17-16(11-15)20(2)8-9-22-17/h3-7,10-11H,8-9,12H2,1-2H3,(H,19,21)
  • InChiKey: OXGZRRABURDAKT-UHFFFAOYSA-N  


Substructure search Similarity search

Network

Hover on a compound node to display the structore

Synonyms

  • 4-methyl-N-(3-methylbenzyl)-2,3-dihydro-1,4-benzothiazine-6-carboxamide
  • C796-0404
  • NCGC00113264-01

Targets

Known targets for this compound

Species Target name Source Bibliographic reference
Homo sapiens euchromatic histone-lysine N-methyltransferase 2 Starlite/ChEMBL No references
Homo sapiens K(lysine) acetyltransferase 2A Starlite/ChEMBL No references
Homo sapiens microtubule-associated protein tau Starlite/ChEMBL No references
Homo sapiens thyroid hormone receptor, beta Starlite/ChEMBL No references
Homo sapiens GNAS complex locus Starlite/ChEMBL No references
Homo sapiens APEX nuclease (multifunctional DNA repair enzyme) 1 Starlite/ChEMBL No references
Homo sapiens TAR DNA binding protein Starlite/ChEMBL No references
Homo sapiens bromodomain adjacent to zinc finger domain, 2B Starlite/ChEMBL No references
Homo sapiens glucagon-like peptide 1 receptor Starlite/ChEMBL No references

Predicted pathogen targets for this compound

By orthology
Species Potential target Known druggable target/s Ortholog Group
Schistosoma mansoni bromodomain containing protein Get druggable targets OG5_131570 All targets in OG5_131570
Entamoeba histolytica acetyltransferase, GNAT family Get druggable targets OG5_127781 All targets in OG5_127781
Plasmodium berghei histone acetyltransferase GCN5, putative Get druggable targets OG5_127781 All targets in OG5_127781
Schistosoma japonicum TAR DNA-binding protein 43, putative Get druggable targets OG5_132461 All targets in OG5_132461
Entamoeba histolytica exodeoxyribonuclease III, putative Get druggable targets OG5_126768 All targets in OG5_126768
Schistosoma mansoni thyroid hormone receptor Get druggable targets OG5_134830 All targets in OG5_134830
Brugia malayi RNA recognition motif domain containing protein Get druggable targets OG5_132461 All targets in OG5_132461
Loa Loa (eye worm) pre-SET domain-containing protein family protein Get druggable targets OG5_131470 All targets in OG5_131470
Schistosoma japonicum ko:K04632 guanine nucleotide binding protein (G protein), alpha stimulating, putative Get druggable targets OG5_131088 All targets in OG5_131088
Leishmania mexicana apurinic/apyrimidinic endonuclease-redox protein,AP-endonuclease Get druggable targets OG5_126768 All targets in OG5_126768
Theileria parva hypothetical protein Get druggable targets OG5_126768 All targets in OG5_126768
Brugia malayi RNA binding protein Get druggable targets OG5_132461 All targets in OG5_132461
Echinococcus multilocularis DNA (apurinic or apyrimidinic site) lyase Get druggable targets OG5_126768 All targets in OG5_126768
Schistosoma japonicum ko:K01549 ATP synthase [EC3.6.3.14], putative Get druggable targets OG5_131570 All targets in OG5_131570
Echinococcus granulosus guanine nucleotide binding protein Gs subunit Get druggable targets OG5_131088 All targets in OG5_131088
Echinococcus multilocularis tar DNA binding protein Get druggable targets OG5_132461 All targets in OG5_132461
Schistosoma japonicum expressed protein Get druggable targets OG5_131570 All targets in OG5_131570
Plasmodium yoelii putative AP endonuclease-related 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
Schistosoma japonicum ko:K10771 AP endonuclease 1, 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
Brugia malayi Pre-SET motif family protein Get druggable targets OG5_131470 All targets in OG5_131470
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) hypothetical protein Get druggable targets OG5_131570 All targets in OG5_131570
Brugia malayi exodeoxyribonuclease III family protein Get druggable targets OG5_126768 All targets in OG5_126768
Echinococcus multilocularis gcn5proteinral control of amino acid synthesis Get druggable targets OG5_127781 All targets in OG5_127781
Cryptosporidium parvum GCN5 like acetylase + bromodomain Get druggable targets OG5_127781 All targets in OG5_127781
Toxoplasma gondii histone lysine acetyltransferase GCN5-A Get druggable targets OG5_127781 All targets in OG5_127781
Trichomonas vaginalis bromodomain-containing protein, putative Get druggable targets OG5_127781 All targets in OG5_127781
Loa Loa (eye worm) exodeoxyribonuclease III family 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
Brugia malayi TAR-binding protein Get druggable targets OG5_132461 All targets in OG5_132461
Schistosoma mansoni thyroid hormone receptor Get druggable targets OG5_134830 All targets in OG5_134830
Trypanosoma congolense apurinic/apyrimidinic endonuclease, putative Get druggable targets OG5_126768 All targets in OG5_126768
Loa Loa (eye worm) hypothetical protein Get druggable targets OG5_131570 All targets in OG5_131570
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
Schistosoma mansoni gcn5proteinral control of amino-acid synthesis 5-like 2 gcnl2 Get druggable targets OG5_127781 All targets in OG5_127781
Echinococcus granulosus DNA apurinic or apyrimidinic site lyase Get druggable targets OG5_126768 All targets in OG5_126768
Brugia malayi acetyltransferase, GNAT family protein Get druggable targets OG5_127781 All targets in OG5_127781
Loa Loa (eye worm) hypothetical protein Get druggable targets OG5_131570 All targets in OG5_131570
Cryptosporidium parvum conserved hypothetical protein Get druggable targets OG5_126768 All targets in OG5_126768
Schistosoma mansoni tar DNA-binding protein Get druggable targets OG5_132461 All targets in OG5_132461
Loa Loa (eye worm) acetyltransferase Get druggable targets OG5_127781 All targets in OG5_127781
Trypanosoma brucei gambiense apurinic/apyrimidinic endonuclease, putative Get druggable targets OG5_126768 All targets in OG5_126768
Plasmodium yoelii histone acetyltransferase GCN5-related Get druggable targets OG5_127781 All targets in OG5_127781
Loa Loa (eye worm) RNA binding protein Get druggable targets OG5_132461 All targets in OG5_132461
Theileria parva histone acetyltransferase Gcn5, putative Get druggable targets OG5_127781 All targets in OG5_127781
Echinococcus multilocularis Mitotic checkpoint protein PRCC, C terminal Get druggable targets OG5_134830 All targets in OG5_134830
Schistosoma japonicum DNA-(apurinic or apyrimidinic site) lyase 2, putative Get druggable targets OG5_126768 All targets in OG5_126768
Loa Loa (eye worm) GTP-binding regulatory protein Gs alpha-S chain Get druggable targets OG5_131088 All targets in OG5_131088
Schistosoma japonicum ko:K08362 nuclear receptor, subfamily 1, group A, member 2, putative Get druggable targets OG5_134830 All targets in OG5_134830
Leishmania braziliensis apurinic/apyrimidinic endonuclease-redox protein Get druggable targets OG5_126768 All targets in OG5_126768
Schistosoma japonicum hypothetical protein Get druggable targets OG5_131570 All targets in OG5_131570
Schistosoma mansoni tar DNA-binding protein Get druggable targets OG5_132461 All targets in OG5_132461
Echinococcus granulosus histone acetyltransferase KAT2B Get druggable targets OG5_127781 All targets in OG5_127781
Schistosoma mansoni ap endonuclease 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
Schistosoma japonicum ko:K06062 p300/CBP-associated factor, putative Get druggable targets OG5_127781 All targets in OG5_127781
Schistosoma mansoni tar DNA-binding protein Get druggable targets OG5_132461 All targets in OG5_132461
Candida albicans similar to S. cerevisiae APN2 (YBL019W) DNA repair apurinic/apyrimidinic endonuclease Get druggable targets OG5_126768 All targets in OG5_126768
Echinococcus multilocularis thyroid hormone receptor alpha Get druggable targets OG5_134830 All targets in OG5_134830
Loa Loa (eye worm) RNA recognition domain-containing protein domain-containing protein Get druggable targets OG5_132461 All targets in OG5_132461
Echinococcus granulosus bromodomain adjacent to zinc finger domain Get druggable targets OG5_131570 All targets in OG5_131570
Trypanosoma cruzi apurinic/apyrimidinic endonuclease, putative Get druggable targets OG5_126768 All targets in OG5_126768
Loa Loa (eye worm) hypothetical protein Get druggable targets OG5_131570 All targets in OG5_131570
Plasmodium vivax histone acetyltransferase GCN5, putative Get druggable targets OG5_127781 All targets in OG5_127781
Candida albicans bromodomain protein similar to S. cerevisiae GCN5 (YGR252W) histone acetyltransferase Get druggable targets OG5_127781 All targets in OG5_127781
Echinococcus granulosus microtubule associated protein 2 Get druggable targets OG5_133504 All targets in OG5_133504
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
Plasmodium falciparum histone acetyltransferase GCN5 Get druggable targets OG5_127781 All targets in OG5_127781
Trichomonas vaginalis cat eye syndrome critical region protein 2, cscr2, putative Get druggable targets OG5_127781 All targets in OG5_127781
Echinococcus multilocularis microtubule associated protein 2 Get druggable targets OG5_133504 All targets in OG5_133504
Schistosoma japonicum ko:K04380 microtubule-associated protein tau, putative Get druggable targets OG5_133504 All targets in OG5_133504
Echinococcus granulosus Mitotic checkpoint protein PRCC C terminal Get druggable targets OG5_134830 All targets in OG5_134830
Leishmania infantum apurinic/apyrimidinic endonuclease-redox protein Get druggable targets OG5_126768 All targets in OG5_126768
Echinococcus granulosus tar DNA binding protein Get druggable targets OG5_132461 All targets in OG5_132461
Giardia lamblia Histone acetyltransferase GCN5 Get druggable targets OG5_127781 All targets in OG5_127781
Loa Loa (eye worm) TAR-binding protein Get druggable targets OG5_132461 All targets in OG5_132461
Schistosoma japonicum DNA-(apurinic or apyrimidinic site) lyase 2, 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
Toxoplasma gondii exonuclease III APE 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
Babesia bovis histone acetyltransferase Get druggable targets OG5_127781 All targets in OG5_127781
Neospora caninum hypothetical protein Get druggable targets OG5_127781 All targets in OG5_127781
Schistosoma japonicum Conserved hypothetical protein Get druggable targets OG5_131570 All targets in OG5_131570
Brugia malayi Bromodomain containing protein Get druggable targets OG5_131570 All targets in OG5_131570
Trichomonas vaginalis ap 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
Leishmania donovani apurinic/apyrimidinic endonuclease-redox protein Get druggable targets OG5_126768 All targets in OG5_126768
Schistosoma mansoni tar DNA-binding protein Get druggable targets OG5_132461 All targets in OG5_132461
Plasmodium falciparum AP endonuclease (DNA-[apurinic or apyrimidinic site] lyase), putative Get druggable targets OG5_126768 All targets in OG5_126768
Onchocerca volvulus Get druggable targets OG5_131470 All targets in OG5_131470
Candida albicans bromodomain protein similar to S. cerevisiae GCN5 (YGR252W) histone acetyltransferase Get druggable targets OG5_127781 All targets in OG5_127781
Plasmodium knowlesi histone acetyltransferase GCN5, putative Get druggable targets OG5_127781 All targets in OG5_127781
Schistosoma mansoni hypothetical protein Get druggable targets OG5_134830 All targets in OG5_134830
Cryptosporidium hominis histone acetyltransferase Get druggable targets OG5_127781 All targets in OG5_127781
Schistosoma mansoni microtubule-associated protein tau Get druggable targets OG5_133504 All targets in OG5_133504
Echinococcus granulosus histone acetyltransferase KAT2B Get druggable targets OG5_127781 All targets in OG5_127781
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
Treponema pallidum exodeoxyribonuclease (exoA) Get druggable targets OG5_126768 All targets in OG5_126768
Echinococcus multilocularis guanine nucleotide binding protein G(s) subunit Get druggable targets OG5_131088 All targets in OG5_131088
Schistosoma japonicum ko:K10772 AP endonuclease 2, putative Get druggable targets OG5_126768 All targets in OG5_126768
Neospora caninum Bromodomain containing protein, related Get druggable targets OG5_127781 All targets in OG5_127781
Echinococcus multilocularis guanine nucleotide binding protein G(s) subunit Get druggable targets OG5_131088 All targets in OG5_131088
Schistosoma japonicum expressed protein Get druggable targets OG5_134830 All targets in OG5_134830
Schistosoma mansoni tar DNA-binding protein Get druggable targets OG5_132461 All targets in OG5_132461
Candida albicans similar to S. cerevisiae APN2 (YBL019W) DNA repair apurinic/apyrimidinic endonuclease 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
Schistosoma mansoni ap endonuclease Get druggable targets OG5_126768 All targets in OG5_126768
Schistosoma japonicum Cleft lip and palate transmembrane protein 1-like protein, putative Get druggable targets OG5_131570 All targets in OG5_131570
Schistosoma japonicum Thyroid hormone receptor alpha, putative Get druggable targets OG5_134830 All targets in OG5_134830
Echinococcus multilocularis bromodomain adjacent to zinc finger domain Get druggable targets OG5_131570 All targets in OG5_131570
Trichomonas vaginalis set domain proteins, putative Get druggable targets OG5_131470 All targets in OG5_131470
Toxoplasma gondii histone lysine acetyltransferase GCN5-B Get druggable targets OG5_127781 All targets in OG5_127781
Trichomonas vaginalis ap endonuclease, putative Get druggable targets OG5_126768 All targets in OG5_126768
Schistosoma japonicum Thyroid hormone receptor alpha, putative Get druggable targets OG5_134830 All targets in OG5_134830
Mycobacterium tuberculosis Probable exodeoxyribonuclease III protein XthA (exonuclease III) (EXO III) (AP endonuclease VI) 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
Leishmania major apurinic/apyrimidinic endonuclease-redox protein Get druggable targets OG5_126768 All targets in OG5_126768
Schistosoma japonicum TAR DNA-binding protein 43, putative Get druggable targets OG5_132461 All targets in OG5_132461
By sequence similarity to non orthologous known druggable targets
Species Potential target Known druggable target Length Alignment span Identity
Brugia malayi photoreceptor-specific nuclear receptor thyroid hormone receptor, beta 461 aa 414 aa 24.6 %
Schistosoma mansoni GTP-binding protein alpha subunit gna GNAS complex locus 394 aa 450 aa 28.7 %
Loa Loa (eye worm) pigment dispersing factor receptor c glucagon-like peptide 1 receptor 463 aa 388 aa 25.8 %
Obtained from network model

Ranking Plot

Putative Targets List

Species Potential target Raw Global Species
Echinococcus granulosus histone lysine methyltransferase setb 0.0057 0.0456 0.0462
Trypanosoma brucei cytochrome b5-dependent oleate desaturase 0.0176 0.1907 0.1871
Brugia malayi TAR-binding protein 0.0076 0.0697 0.0886
Trypanosoma cruzi cytochrome b5-dependent oleate desaturase 0.0176 0.1907 0.1871
Leishmania major fatty-acid desaturase, putative 0.0844 1 1
Loa Loa (eye worm) fatty acid desaturase 0.0176 0.1907 0.2426
Trypanosoma cruzi fatty acid desaturase, putative 0.0176 0.1907 0.1871
Trypanosoma cruzi fatty acid desaturase, putative 0.0844 1 1
Mycobacterium ulcerans linoleoyl-CoA desaturase, DesA3_2 0.0176 0.1907 1
Loa Loa (eye worm) hypothetical protein 0.0176 0.1907 0.2426
Schistosoma mansoni tar DNA-binding protein 0.0076 0.0697 0.0706
Echinococcus granulosus Fatty acid desaturase type 1 0.0176 0.1907 0.1931
Loa Loa (eye worm) RNA binding protein 0.0076 0.0697 0.0886
Brugia malayi Fatty acid desaturase family protein 0.0176 0.1907 0.2426
Brugia malayi exodeoxyribonuclease III family protein 0.0023 0.0044 0.0057
Toxoplasma gondii histone lysine acetyltransferase GCN5-B 0.0054 0.0428 0.2059
Onchocerca volvulus 0.0176 0.1907 0.1737
Onchocerca volvulus 0.0844 1 1
Echinococcus multilocularis microtubule associated protein 2 0.0833 0.9876 1
Onchocerca volvulus 0.0844 1 1
Trichomonas vaginalis set domain proteins, putative 0.0286 0.3238 1
Loa Loa (eye worm) hypothetical protein 0.0056 0.0446 0.0567
Trypanosoma cruzi fatty acid desaturase, putative 0.0667 0.7862 0.7852
Echinococcus multilocularis histone lysine N methyltransferase SETMAR 0.0036 0.0206 0.0209
Brugia malayi Bromodomain containing protein 0.0051 0.0382 0.0486
Loa Loa (eye worm) pigment dispersing factor receptor c 0.006 0.0499 0.0635
Echinococcus multilocularis Peptidase M, neutral zinc metallopeptidases, zinc binding site 0.0176 0.1907 0.1931
Leishmania major fatty acid desaturase, putative,sphingolipid delta 4 desaturase, putative 0.0176 0.1907 0.1871
Loa Loa (eye worm) hypothetical protein 0.0053 0.0418 0.0531
Echinococcus multilocularis bromodomain adjacent to zinc finger domain 0.0043 0.0295 0.0299
Echinococcus multilocularis tar DNA binding protein 0.0076 0.0697 0.0706
Leishmania major fatty acid desaturase, putative 0.0176 0.1907 0.1871
Schistosoma mansoni histone-lysine n-methyltransferase setb1 0.0036 0.0206 0.0209
Echinococcus multilocularis methyl CpG binding domain protein 2 0.0021 0.0019 0.0019
Schistosoma mansoni tar DNA-binding protein 0.0076 0.0697 0.0706
Loa Loa (eye worm) acetyltransferase 0.0178 0.1927 0.2451
Brugia malayi Pre-SET motif family protein 0.0251 0.2817 0.3584
Plasmodium vivax stearoyl-CoA desaturase (acyl-CoA desaturase, faty acid desaturase), putative 0.0667 0.7862 1
Toxoplasma gondii sphingolipid delta 4 desaturase/c-4 hydroxylase protein des2 family protein 0.0176 0.1907 1
Brugia malayi PHD-finger family protein 0.0034 0.0186 0.0236
Leishmania major delta-5 fatty acid desaturase 0.0176 0.1907 0.1871
Echinococcus multilocularis gcn5proteinral control of amino acid synthesis 0.0178 0.1927 0.1951
Schistosoma mansoni ap endonuclease 0.0023 0.0044 0.0045
Leishmania major fatty acid desaturase, putative,sphingolipid delta 4 desaturase, putative 0.0176 0.1907 0.1871
Mycobacterium ulcerans hypothetical protein 0.0176 0.1907 1
Echinococcus granulosus histone acetyltransferase KAT2B 0.017 0.1832 0.1855
Trypanosoma cruzi fatty acid desaturase, putative 0.0176 0.1907 0.1871
Brugia malayi Delta5 fatty acid desaturase 0.0176 0.1907 0.2426
Echinococcus granulosus fetal alzheimer antigen falz 0.0027 0.0099 0.01
Schistosoma mansoni gcn5proteinral control of amino-acid synthesis 5-like 2 gcnl2 0.0178 0.1927 0.1951
Brugia malayi acetyltransferase, GNAT family protein 0.0178 0.1927 0.2451
Mycobacterium ulcerans transmembrane alkane 1-monooxygenase AlkB 0.0176 0.1907 1
Mycobacterium tuberculosis Possible electron transfer protein FdxB 0.0176 0.1907 1
Echinococcus granulosus methyl CpG binding domain protein 2 0.0021 0.0019 0.0019
Trypanosoma brucei fatty acid desaturase, putative 0.0844 1 1
Brugia malayi Fatty acid desaturase family protein 0.0176 0.1907 0.2426
Schistosoma mansoni zinc finger protein 0.0028 0.0108 0.0109
Schistosoma mansoni methyl-cpg binding protein mbd 0.0021 0.0019 0.0019
Schistosoma mansoni microtubule-associated protein tau 0.0833 0.9876 1
Toxoplasma gondii histone lysine methyltransferase SET/SUV39 0.0036 0.0206 0.0868
Schistosoma mansoni hypothetical protein 0.0041 0.0268 0.0271
Trypanosoma cruzi delta-4 fatty acid desaturase, putative 0.0176 0.1907 0.1871
Trypanosoma cruzi sphingolipid delta 4 desaturase, putative 0.0176 0.1907 0.1871
Mycobacterium tuberculosis Probable conserved membrane protein 0.0176 0.1907 1
Trypanosoma cruzi delta-4 fatty acid desaturase, putative 0.0176 0.1907 0.1871
Loa Loa (eye worm) hypothetical protein 0.0046 0.0331 0.0421
Brugia malayi Pre-SET motif family protein 0.0036 0.0206 0.0262
Giardia lamblia Histone acetyltransferase GCN5 0.0047 0.0341 1
Schistosoma mansoni thyroid hormone receptor 0.0164 0.1761 0.1783
Schistosoma mansoni bromodomain containing protein 0.0081 0.0748 0.0757
Loa Loa (eye worm) fatty acid desaturase 0.0176 0.1907 0.2426
Entamoeba histolytica acetyltransferase, GNAT family 0.0047 0.0341 1
Schistosoma mansoni Guanine nucleotide-binding protein G(s) subunit alpha (Adenylate cyclase-stimulating G alpha protein) 0.0055 0.0439 0.0444
Schistosoma mansoni tar DNA-binding protein 0.0076 0.0697 0.0706
Echinococcus granulosus histone acetyltransferase KAT2B 0.0054 0.0428 0.0433
Mycobacterium ulcerans electron transfer protein FdxB 0.0176 0.1907 1
Trichomonas vaginalis cat eye syndrome critical region protein 2, cscr2, putative 0.0054 0.0428 0.1201
Brugia malayi Bromodomain containing protein 0.0095 0.0919 0.117
Echinococcus multilocularis histone lysine methyltransferase setb histone lysine methyltransferase eggless 0.0057 0.0456 0.0462
Trypanosoma brucei sphingolipid delta 4 desaturase, putative 0.0176 0.1907 0.1871
Loa Loa (eye worm) FAT-3 protein 0.0176 0.1907 0.2426
Brugia malayi RNA recognition motif domain containing protein 0.0076 0.0697 0.0886
Loa Loa (eye worm) hypothetical protein 0.0085 0.0805 0.1024
Echinococcus multilocularis guanine nucleotide binding protein G(s) subunit 0.0055 0.0439 0.0444
Echinococcus multilocularis fetal alzheimer antigen, falz 0.0027 0.0099 0.01
Echinococcus multilocularis zinc finger protein 0.0028 0.0108 0.0109
Plasmodium vivax SET domain protein, putative 0.0036 0.0206 0.0207
Echinococcus multilocularis thyroid hormone receptor alpha 0.0164 0.1761 0.1783
Echinococcus granulosus Mitotic checkpoint protein PRCC C terminal 0.0152 0.1613 0.1633
Mycobacterium tuberculosis Probable transmembrane alkane 1-monooxygenase AlkB (alkane 1-hydroxylase) (lauric acid omega-hydroxylase) (omega-hydroxylase) (f 0.0176 0.1907 1
Wolbachia endosymbiont of Brugia malayi exonuclease III 0.0023 0.0044 0.5
Mycobacterium ulcerans hypothetical protein 0.0176 0.1907 1
Schistosoma mansoni Guanine nucleotide-binding protein G(s) subunit alpha (Adenylate cyclase-stimulating G alpha protein) 0.0055 0.0439 0.0444
Toxoplasma gondii histone lysine acetyltransferase GCN5-A 0.0054 0.0428 0.2059
Leishmania major fatty acid desaturase, putative,sphingolipid delta 4 desaturase, putative 0.0176 0.1907 0.1871
Onchocerca volvulus 0.0286 0.3238 0.3096
Echinococcus granulosus 5'partial|histone lysine N methyltransferase SETDB2 0.0035 0.019 0.0192
Leishmania major delta-12 fatty acid desaturase 0.0176 0.1907 0.1871
Schistosoma mansoni hypothetical protein 0.0025 0.0071 0.0072
Schistosoma mansoni histone-lysine n-methyltransferase setb1 0.0057 0.0456 0.0462
Echinococcus granulosus microtubule associated protein 2 0.0833 0.9876 1
Loa Loa (eye worm) pre-SET domain-containing protein family protein 0.0251 0.2817 0.3584
Schistosoma mansoni histone-lysine n-methyltransferase setb1 0.0057 0.0456 0.0462
Leishmania major fatty acid desaturase, putative 0.0176 0.1907 0.1871
Schistosoma mansoni thyroid hormone receptor 0.0164 0.1761 0.1783
Leishmania major delta-4 fatty acid desaturase 0.0176 0.1907 0.1871
Echinococcus granulosus zinc finger protein 0.0028 0.0108 0.0109
Echinococcus granulosus guanine nucleotide binding protein Gs subunit 0.0055 0.0439 0.0444
Echinococcus multilocularis DNA (apurinic or apyrimidinic site) lyase 0.0023 0.0044 0.0045
Echinococcus multilocularis Fatty acid desaturase, type 1 0.0176 0.1907 0.1931
Loa Loa (eye worm) TAR-binding protein 0.0076 0.0697 0.0886
Schistosoma mansoni acetyl-CoA C-acetyltransferase 0.0027 0.0099 0.01
Schistosoma mansoni fatty acid desaturase 0.0176 0.1907 0.1931
Schistosoma mansoni hypothetical protein 0.0152 0.1613 0.1633
Schistosoma mansoni tar DNA-binding protein 0.0076 0.0697 0.0706
Echinococcus granulosus DNA apurinic or apyrimidinic site lyase 0.0023 0.0044 0.0045
Echinococcus granulosus tar DNA binding protein 0.0076 0.0697 0.0706
Echinococcus multilocularis guanine nucleotide binding protein G(s) subunit 0.0055 0.0439 0.0444
Plasmodium falciparum histone acetyltransferase GCN5 0.0047 0.0341 0.038
Schistosoma mansoni methyl-cpg binding protein mbd 0.0021 0.0019 0.0019
Trypanosoma cruzi fatty acid desaturase, putative 0.0667 0.7862 0.7852
Schistosoma mansoni histone-lysine n-methyltransferase suv9 0.0036 0.0206 0.0209
Echinococcus granulosus guanine nucleotide binding protein Gs subunit 0.0055 0.0439 0.0444
Trichomonas vaginalis bromodomain-containing protein, putative 0.0054 0.0428 0.1201
Mycobacterium ulcerans linoleoyl-CoA desaturase, DesA3 0.0176 0.1907 1
Echinococcus multilocularis bromodomain adjacent to zinc finger domain 0.0076 0.0695 0.0704
Schistosoma mansoni ap endonuclease 0.0023 0.0044 0.0045
Brugia malayi RNA binding protein 0.0076 0.0697 0.0886
Leishmania major delta-6 fatty acid desaturase 0.0176 0.1907 0.1871
Echinococcus granulosus bromodomain adjacent to zinc finger domain 0.0043 0.0295 0.0299
Mycobacterium ulcerans linoleoyl-CoA desaturase, DesA3 0.0176 0.1907 1
Brugia malayi GTP-binding regulatory protein Gs alpha-S chain, putative 0.0055 0.0439 0.0558
Loa Loa (eye worm) bromodomain containing protein 0.0026 0.008 0.0101
Loa Loa (eye worm) exodeoxyribonuclease III family protein 0.0023 0.0044 0.0057
Loa Loa (eye worm) RNA recognition domain-containing protein domain-containing protein 0.0076 0.0697 0.0886
Plasmodium vivax histone acetyltransferase GCN5, putative 0.0054 0.0428 0.0491
Loa Loa (eye worm) hypothetical protein 0.006 0.0499 0.0635
Echinococcus granulosus Sphingolipid delta4 desaturase DES1 0.0176 0.1907 0.1931
Loa Loa (eye worm) hypothetical protein 0.0041 0.0268 0.0341
Plasmodium falciparum stearoyl-CoA desaturase 0.0667 0.7862 1
Loa Loa (eye worm) hypothetical protein 0.0057 0.0456 0.058
Brugia malayi latrophilin 2 splice variant baaae 0.0041 0.0268 0.0341
Loa Loa (eye worm) acyl-CoA desaturase 0.0667 0.7862 1
Brugia malayi Corticotropin releasing factor receptor 2 precursor, putative 0.006 0.0499 0.0635
Leishmania major fatty acid desaturase, putative,sphingolipid delta 4 desaturase, putative 0.0176 0.1907 0.1871
Schistosoma mansoni Guanine nucleotide-binding protein G(s) subunit alpha (Adenylate cyclase-stimulating G alpha protein) 0.0055 0.0439 0.0444
Trypanosoma brucei delta-4 fatty acid desaturase 0.0176 0.1907 0.1871
Echinococcus multilocularis Peptidase M, neutral zinc metallopeptidases, zinc binding site 0.0176 0.1907 0.1931
Schistosoma mansoni tar DNA-binding protein 0.0076 0.0697 0.0706
Brugia malayi acyl-CoA desaturase 0.0667 0.7862 1
Brugia malayi Calcitonin receptor-like protein seb-1 0.006 0.0499 0.0635
Echinococcus granulosus bromodomain adjacent to zinc finger domain 0.0076 0.0695 0.0704
Loa Loa (eye worm) GTP-binding regulatory protein Gs alpha-S chain 0.0055 0.0439 0.0558
Loa Loa (eye worm) PHD-finger family protein 0.0025 0.0071 0.0091
Trypanosoma brucei delta-6 fatty acid desaturase, putative 0.0176 0.1907 0.1871
Treponema pallidum exodeoxyribonuclease (exoA) 0.0023 0.0044 0.5
Echinococcus multilocularis Mitotic checkpoint protein PRCC, C terminal 0.0152 0.1613 0.1633

Activities

Activity type Activity value Assay description Source Reference
Potency (functional) 0.2119 uM PubChem BioAssay. qHTS Assay for Inhibitors of the Human Apurinic/apyrimidinic Endonuclease 1 (APE1). (Class of assay: confirmatory) ChEMBL. No reference
Potency (functional) 2.5119 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) 5.6234 uM PUBCHEM_BIOASSAY: qHTS Assay for Inhibitors of GCN5L2. (Class of assay: confirmatory) [Related pubchem assays (depositor defined):AID504398] ChEMBL. No reference
Potency (functional) 7.9433 uM PubChem BioAssay. qHTS of GLP-1 Receptor Inverse Agonists (Inhibition Mode). (Class of assay: confirmatory) ChEMBL. No reference
Potency (functional) 10 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) 11.2202 uM PubChem BioAssay. qHTS of GLP-1 Receptor Inverse Agonists (Inhibition Mode). (Class of assay: confirmatory) ChEMBL. No reference
Potency (functional) = 12.5893 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 (binding) = 14.1254 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) 14.1254 uM PubChem BioAssay. qHTS of TDP-43 Inhibitors. (Class of assay: confirmatory) ChEMBL. No reference
Potency (functional) 15.8489 uM PubChem BioAssay. qHTS of TDP-43 Inhibitors. (Class of assay: confirmatory) ChEMBL. No reference
Potency (functional) 17.7828 uM PUBCHEM_BIOASSAY: qHTS Assay for Inhibitors of BAZ2B. (Class of assay: confirmatory) [Related pubchem assays (depositor defined):AID504391] ChEMBL. No reference
Potency (functional) = 19.9526 um PUBCHEM_BIOASSAY: Total Fluorescence Counterscreen for Inhibitors of the Interaction of Thyroid Hormone Receptor and Steroid Receptor Coregulator 2. (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) = 22.3872 um PUBCHEM_BIOASSAY: qHTS Assay for Agonists of the Relaxin Receptor RXFP1. (Class of assay: confirmatory) ChEMBL. No reference
Potency (functional) 25.1189 uM PubChem BioAssay. Inhibitors of Secretory Acid Sphingomyelinase (S-ASM): qHTS. (Class of assay: confirmatory) ChEMBL. No reference
Potency (functional) 28.1838 uM PUBCHEM_BIOASSAY: qHTS Assay for Substrates of Mammalian Selenoprotein Thioredoxin Reductase 1 (TrxR1): qHTS. (Class of assay: confirmatory) [Related pubchem assays (depositor defined):AID488771] ChEMBL. No reference
Potency (functional) 30.1313 uM PUBCHEM_BIOASSAY: qHTS profiling assay for firefly luciferase inhibitor/activator using purified enzyme and Km concentrations of substrates (counterscreen for miR-21 project). (Class of assay: confirmatory) [Related pubchem assays (depositor defined):AID2288, AID2289, AID2598, AID411] ChEMBL. No reference
Potency (functional) 31.6228 uM PUBCHEM_BIOASSAY: qHTS Assay for Substrates of Mammalian Selenoprotein Thioredoxin Reductase 1 (TrxR1): qHTS. (Class of assay: confirmatory) [Related pubchem assays (depositor defined):AID488771] ChEMBL. No reference
Potency (binding) = 35.4813 um PUBCHEM_BIOASSAY: qHTS Assay for Identification of Novel General Anesthetics. In this assay, a GABAergic mimetic model system, apoferritin and a profluorescent 1-aminoanthracene ligand (1-AMA), was used to construct a competitive binding assay for identification of novel general anesthetics (Class of assay: confirmatory) [Related pubchem assays: 2385 (Probe Development Summary for Identification of Novel General Anesthetics), 2323 (Validation apoferritin assay run on SigmaAldrich LOPAC1280 collection)] ChEMBL. No reference
Potency (functional) 35.4813 uM PUBCHEM_BIOASSAY: qHTS Assay for Inhibitors and Activators of N370S glucocerebrosidase as a Potential Chaperone Treatment of Gaucher Disease. (Class of assay: confirmatory) [Related pubchem assays (depositor defined):AID1473, AID2293, AID2577, AID2578, AID2587, AID2588, AID2589, AID2590, AID2592, AID2593, AID2595, AID2596, AID2597, AID2613, AID2671, AID488845] ChEMBL. No reference
Potency (functional) 37.933 uM PUBCHEM_BIOASSAY: qHTS profiling assay for firefly luciferase inhibitor/activator using purified enzyme and Km concentrations of substrates (counterscreen for miR-21 project). (Class of assay: confirmatory) [Related pubchem assays (depositor defined):AID2288, AID2289, AID2598, AID411] 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) 100 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) 100 uM PUBCHEM_BIOASSAY: Inhibitors of the vitamin D receptor (VDR): qHTS. (Class of assay: confirmatory) [Related pubchem assays (depositor defined):AID504855] 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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