Detailed information for compound 1230009

Basic information

Technical information
  • TDR Targets ID: 1230009
  • Name: 1-[5-[3-(hydroxymethyl)-3-[(2-methylphenyl)me thyl]piperidine-1-carbonyl]thiophen-2-yl]etha none
  • MW: 371.493 | Formula: C21H25NO3S
  • H donors: 1 H acceptors: 3 LogP: 3.65 Rotable bonds: 6
    Rule of 5 violations (Lipinski): 1
  • SMILES: OCC1(CCCN(C1)C(=O)c1ccc(s1)C(=O)C)Cc1ccccc1C
  • InChi: 1S/C21H25NO3S/c1-15-6-3-4-7-17(15)12-21(14-23)10-5-11-22(13-21)20(25)19-9-8-18(26-19)16(2)24/h3-4,6-9,23H,5,10-14H2,1-2H3
  • InChiKey: NEEAHNOYMIVYHB-UHFFFAOYSA-N  


Substructure search Similarity search

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Synonyms

  • 1-[5-[3-(hydroxymethyl)-3-[(2-methylphenyl)methyl]piperidine-1-carbonyl]-2-thienyl]ethanone
  • 1-[5-[[3-(hydroxymethyl)-3-[(2-methylphenyl)methyl]-1-piperidinyl]-oxomethyl]-2-thienyl]ethanone
  • 1-[5-[3-(2-methylbenzyl)-3-methylol-piperidine-1-carbonyl]-2-thienyl]ethanone
  • 1-[5-[3-(hydroxymethyl)-3-[(2-methylphenyl)methyl]piperidin-1-yl]carbonylthiophen-2-yl]ethanone

Targets

Known targets for this compound

Species Target name Source Bibliographic reference
Homo sapiens K(lysine) acetyltransferase 2A Starlite/ChEMBL No references
Mycobacterium tuberculosis Adenosylmethionine-8-amino-7-oxononanoate aminotransferase BioA Starlite/ChEMBL No references
Homo sapiens TAR DNA binding protein Starlite/ChEMBL No references

Predicted pathogen targets for this compound

By orthology
Species Potential target Known druggable target/s Ortholog Group
Loa Loa (eye worm) acetyltransferase Get druggable targets OG5_127781 All targets in OG5_127781
Giardia lamblia Histone acetyltransferase GCN5 Get druggable targets OG5_127781 All targets in OG5_127781
Mycobacterium tuberculosis Probable aminotransferase Get druggable targets OG5_128068 All targets in OG5_128068
Neospora caninum Bromodomain containing protein, related 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
Plasmodium yoelii histone acetyltransferase GCN5-related Get druggable targets OG5_127781 All targets in OG5_127781
Brugia malayi RNA recognition motif domain containing protein Get druggable targets OG5_132461 All targets in OG5_132461
Echinococcus multilocularis tar DNA binding protein Get druggable targets OG5_132461 All targets in OG5_132461
Schistosoma mansoni tar DNA-binding protein Get druggable targets OG5_132461 All targets in OG5_132461
Cryptosporidium hominis histone acetyltransferase Get druggable targets OG5_127781 All targets in OG5_127781
Plasmodium falciparum histone acetyltransferase GCN5 Get druggable targets OG5_127781 All targets in OG5_127781
Mycobacterium ulcerans adenosylmethionine-8-amino-7-oxononanoate aminotransferase Get druggable targets OG5_128068 All targets in OG5_128068
Theileria parva histone acetyltransferase Gcn5, putative Get druggable targets OG5_127781 All targets in OG5_127781
Plasmodium vivax histone acetyltransferase GCN5, putative Get druggable targets OG5_127781 All targets in OG5_127781
Echinococcus granulosus tar DNA binding protein Get druggable targets OG5_132461 All targets in OG5_132461
Cryptosporidium parvum GCN5 like acetylase + bromodomain 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
Toxoplasma gondii histone lysine acetyltransferase GCN5-B 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
Loa Loa (eye worm) RNA recognition domain-containing protein domain-containing protein Get druggable targets OG5_132461 All targets in OG5_132461
Schistosoma japonicum TAR DNA-binding protein 43, putative Get druggable targets OG5_132461 All targets in OG5_132461
Brugia malayi RNA binding protein Get druggable targets OG5_132461 All targets in OG5_132461
Candida albicans bromodomain protein similar to S. cerevisiae GCN5 (YGR252W) histone acetyltransferase Get druggable targets OG5_127781 All targets in OG5_127781
Entamoeba histolytica acetyltransferase, GNAT family Get druggable targets OG5_127781 All targets in OG5_127781
Schistosoma japonicum ko:K06062 p300/CBP-associated factor, putative Get druggable targets OG5_127781 All targets in OG5_127781
Babesia bovis histone acetyltransferase 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
Mycobacterium ulcerans hypothetical protein Get druggable targets OG5_128068 All targets in OG5_128068
Candida albicans bromodomain protein similar to S. cerevisiae GCN5 (YGR252W) histone acetyltransferase Get druggable targets OG5_127781 All targets in OG5_127781
Mycobacterium tuberculosis Adenosylmethionine-8-amino-7-oxononanoate aminotransferase BioA Get druggable targets OG5_128068 All targets in OG5_128068
Loa Loa (eye worm) TAR-binding protein Get druggable targets OG5_132461 All targets in OG5_132461
Candida albicans adenosylmethionine-8-amino-7-oxononanoate aminotransferase similar to that found in bacteria Get druggable targets OG5_128068 All targets in OG5_128068
Schistosoma mansoni gcn5proteinral control of amino-acid synthesis 5-like 2 gcnl2 Get druggable targets OG5_127781 All targets in OG5_127781
Mycobacterium leprae PROBABLE ADENOSYLMETHIONINE-8-AMINO-7-OXONONANOATE AMINOTRANSFERASE BIOA Get druggable targets OG5_128068 All targets in OG5_128068
Loa Loa (eye worm) RNA binding protein Get druggable targets OG5_132461 All targets in OG5_132461
Plasmodium knowlesi histone acetyltransferase GCN5, putative 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
Candida albicans second version of adenosylmethionine-8-amino-7-oxononanoate aminotransferase Get druggable targets OG5_128068 All targets in OG5_128068
Trichomonas vaginalis bromodomain-containing protein, putative Get druggable targets OG5_127781 All targets in OG5_127781
Candida albicans second version of adenosylmethionine-8-amino-7-oxononanoate aminotransferase Get druggable targets OG5_128068 All targets in OG5_128068
Schistosoma mansoni tar DNA-binding protein Get druggable targets OG5_132461 All targets in OG5_132461
Brugia malayi acetyltransferase, GNAT family protein Get druggable targets OG5_127781 All targets in OG5_127781
Echinococcus granulosus histone acetyltransferase KAT2B Get druggable targets OG5_127781 All targets in OG5_127781
Brugia malayi TAR-binding protein Get druggable targets OG5_132461 All targets in OG5_132461
Trichomonas vaginalis acetylornithine aminotransferase, putative Get druggable targets OG5_128068 All targets in OG5_128068
Echinococcus granulosus histone acetyltransferase KAT2B Get druggable targets OG5_127781 All targets in OG5_127781
Neospora caninum hypothetical protein 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
Candida albicans adenosylmethionine-8-amino-7-oxononanoate aminotransferase similar to that found in bacteria Get druggable targets OG5_128068 All targets in OG5_128068
Plasmodium berghei histone acetyltransferase GCN5, putative Get druggable targets OG5_127781 All targets in OG5_127781
Echinococcus multilocularis gcn5proteinral control of amino acid synthesis Get druggable targets OG5_127781 All targets in OG5_127781
By sequence similarity to non orthologous known druggable targets
Species Potential target Known druggable target Length Alignment span Identity
Mycobacterium leprae Probable 4-aminobutyrate aminotransferase GabT (GAMMA-AMINO-N-BUTYRATE TRANSAMINASE) (GABA TRANSAMINASE) (GLUTAMATE:SUCCINIC SEM Adenosylmethionine-8-amino-7-oxononanoate aminotransferase BioA 437 aa 397 aa 28.5 %
Obtained from network model

Ranking Plot

Putative Targets List

Species Potential target Raw Global Species
Loa Loa (eye worm) nuclear hormone receptor family member nhr-31 0.001 0.0202 0.0236
Schistosoma mansoni hypothetical protein 0.0177 0.7307 1
Brugia malayi Nuclear hormone receptor family member nhr-25 0.001 0.0202 0.0236
Echinococcus multilocularis ornithine aminotransferase 0.0026 0.0884 0.121
Loa Loa (eye worm) hypothetical protein 0.003 0.1034 0.1208
Loa Loa (eye worm) hypothetical protein 0.0158 0.6492 0.7583
Loa Loa (eye worm) hypothetical protein 0.0038 0.1374 0.1605
Chlamydia trachomatis glutamate-1-semialdehyde-2,1-aminomutase 0.0026 0.0884 0.5
Mycobacterium ulcerans hypothetical protein 0.0038 0.1374 0.1076
Mycobacterium tuberculosis Adenosylmethionine-8-amino-7-oxononanoate aminotransferase BioA 0.0184 0.7582 0.742
Brugia malayi Nuclear hormone receptor family member nhr-49 0.001 0.0202 0.0236
Echinococcus granulosus beta LACTamase domain containing family member 0.0038 0.1374 0.1881
Echinococcus granulosus retinoic acid receptor rxr beta a 0.001 0.0202 0.0276
Schistosoma mansoni tar DNA-binding protein 0.0076 0.3027 0.4143
Mycobacterium tuberculosis Conserved protein 0.0038 0.1374 0.0799
Brugia malayi MH2 domain containing protein 0.0117 0.4768 0.557
Echinococcus granulosus guanine nucleotide binding protein Gs subunit 0.0094 0.3777 0.5169
Echinococcus multilocularis mothers against decapentaplegic 5 0.0008 0.0114 0.0156
Echinococcus multilocularis COUP TF:Svp nuclear hormone receptor 0.001 0.0202 0.0276
Echinococcus granulosus nuclear receptor 2DBD gamma 0.001 0.0202 0.0276
Echinococcus granulosus COUP TF:Svp nuclear hormone receptor 0.001 0.0202 0.0276
Echinococcus granulosus 5'partial|histone lysine N methyltransferase SETDB2 0.0029 0.0988 0.1352
Loa Loa (eye worm) RNA recognition domain-containing protein domain-containing protein 0.0076 0.3027 0.3536
Brugia malayi ecdysteroid receptor 0.001 0.0202 0.0236
Echinococcus granulosus histone acetyltransferase KAT2B 0.0051 0.1963 0.2686
Echinococcus granulosus smad 0.0008 0.0114 0.0156
Loa Loa (eye worm) MH2 domain-containing protein 0.0008 0.0114 0.0133
Plasmodium falciparum ornithine aminotransferase 0.0026 0.0884 0.2235
Leishmania major hypothetical protein, conserved 0.0038 0.1374 1
Schistosoma mansoni retinoic acid receptor RXR 0.001 0.0202 0.0276
Loa Loa (eye worm) acetyltransferase 0.0175 0.7218 0.8432
Schistosoma mansoni nuclear hormone receptor 0.001 0.0202 0.0276
Loa Loa (eye worm) nuclear Hormone Receptor family member 0.001 0.0202 0.0236
Plasmodium vivax AP endonuclease (DNA-[apurinic or apyrimidinic site] lyase), putative 0.002 0.0626 0.3178
Loa Loa (eye worm) TAR-binding protein 0.0076 0.3027 0.3536
Echinococcus multilocularis DNA (apurinic or apyrimidinic site) lyase 0.002 0.0626 0.0856
Trichomonas vaginalis penicillin-binding protein, putative 0.0038 0.1374 0.0818
Mycobacterium tuberculosis Conserved protein 0.0038 0.1374 0.0799
Brugia malayi beta-lactamase family protein 0.0038 0.1374 0.1605
Schistosoma mansoni gcn5proteinral control of amino-acid synthesis 5-like 2 gcnl2 0.0175 0.7218 0.9879
Loa Loa (eye worm) nuclear hormone receptor family member nhr-1 0.001 0.0202 0.0236
Loa Loa (eye worm) steroid hormone receptor 0.001 0.0202 0.0236
Echinococcus granulosus TGF beta signal transducer SmadC 0.0008 0.0114 0.0156
Onchocerca volvulus 0.0158 0.6492 0.657
Mycobacterium leprae PROBABLE ADENOSYLMETHIONINE-8-AMINO-7-OXONONANOATE AMINOTRANSFERASE BIOA 0.0184 0.7582 1
Entamoeba histolytica acetyltransferase, GNAT family 0.0047 0.1781 1
Echinococcus multilocularis Nuclear hormone receptor family member nhr 41 0.001 0.0202 0.0276
Toxoplasma gondii histone lysine acetyltransferase GCN5-A 0.0051 0.1963 1
Mycobacterium leprae conserved hypothetical protein 0.0038 0.1374 0.0732
Loa Loa (eye worm) nuclear hormone receptor family member nhr-41 0.001 0.0202 0.0236
Schistosoma mansoni ap endonuclease 0.002 0.0626 0.0856
Loa Loa (eye worm) hypothetical protein 0.001 0.0202 0.0236
Mycobacterium ulcerans esterase/lipase LipP 0.0038 0.1374 0.1076
Brugia malayi MH1 domain containing protein 0.0008 0.0114 0.0133
Trichomonas vaginalis set domain proteins, putative 0.0235 0.9775 1
Schistosoma mansoni tar DNA-binding protein 0.0076 0.3027 0.4143
Brugia malayi MH2 domain containing protein 0.0008 0.0114 0.0133
Loa Loa (eye worm) hypothetical protein 0.0038 0.1374 0.1605
Schistosoma mansoni family S12 unassigned peptidase (S12 family) 0.0038 0.1374 0.1881
Mycobacterium tuberculosis Probable glutamate-1-semialdehyde 2,1-aminomutase HemL (GSA) (glutamate-1-semialdehyde aminotransferase) (GSA-at) 0.0026 0.0884 0.0275
Schistosoma mansoni ap endonuclease 0.002 0.0626 0.0856
Schistosoma mansoni tar DNA-binding protein 0.0076 0.3027 0.4143
Onchocerca volvulus 0.0038 0.1374 0.1225
Brugia malayi Nuclear hormone receptor family member nhr-19 0.001 0.0202 0.0236
Loa Loa (eye worm) hypothetical protein 0.001 0.0202 0.0236
Trichomonas vaginalis cat eye syndrome critical region protein 2, cscr2, putative 0.0051 0.1963 0.1462
Plasmodium vivax hypothetical protein, conserved 0.0038 0.1374 0.6998
Onchocerca volvulus 0.0038 0.1374 0.1225
Echinococcus multilocularis hepatocyte nuclear factor 4 alpha 0.001 0.0202 0.0276
Mycobacterium ulcerans fusion of enoyl-CoA hydratase, EchA21 and lipase, LipE 0.0038 0.1374 0.1076
Trichomonas vaginalis esterase, putative 0.0038 0.1374 0.0818
Loa Loa (eye worm) MH1 domain-containing protein 0.0008 0.0114 0.0133
Echinococcus granulosus DNA apurinic or apyrimidinic site lyase 0.002 0.0626 0.0856
Mycobacterium ulcerans 4-aminobutyrate aminotransferase 0.0026 0.0884 0.0371
Brugia malayi Nuclear hormone receptor family member nhr-3 0.001 0.0202 0.0236
Trypanosoma cruzi hypothetical protein, conserved 0.0038 0.1374 1
Echinococcus multilocularis ornithine aminotransferase 0.0026 0.0884 0.121
Echinococcus granulosus hepatocyte nuclear factor 4 alpha 0.001 0.0202 0.0276
Brugia malayi Hypothetical 52.5 kDa protein ZK945.1 in chromosome II, putative 0.0038 0.1374 0.1605
Schistosoma mansoni photoreceptor-specific nuclear receptor related 0.001 0.0202 0.0276
Echinococcus multilocularis beta LACTamase domain containing family member 0.0038 0.1374 0.1881
Echinococcus multilocularis FTZ F1 alpha 0.001 0.0202 0.0276
Schistosoma mansoni histone-lysine n-methyltransferase suv9 0.003 0.1034 0.1415
Plasmodium vivax histone acetyltransferase GCN5, putative 0.0051 0.1963 1
Loa Loa (eye worm) nuclear hormone receptor family member nhr-49 0.001 0.0202 0.0236
Mycobacterium tuberculosis Probable acetylornithine aminotransferase ArgD 0.0026 0.0884 0.0275
Echinococcus multilocularis nuclear receptor 2DBD gamma 0.001 0.0202 0.0276
Brugia malayi nuclear hormone receptor 0.001 0.0202 0.0236
Brugia malayi GTP-binding regulatory protein Gs alpha-S chain, putative 0.0094 0.3777 0.4412
Toxoplasma gondii ABC1 family protein 0.0038 0.1374 0.6998
Mycobacterium tuberculosis Probable aminotransferase 0.0184 0.7582 0.742
Loa Loa (eye worm) exodeoxyribonuclease III family protein 0.002 0.0626 0.0731
Schistosoma mansoni retinoid-x-receptor (RXR) 0.001 0.0202 0.0276
Brugia malayi Ligand-binding domain of nuclear hormone receptor family protein 0.001 0.0202 0.0236
Echinococcus multilocularis Smad4 0.0008 0.0114 0.0156
Loa Loa (eye worm) RNA binding protein 0.0076 0.3027 0.3536
Mycobacterium tuberculosis Probable lipase LipD 0.0038 0.1374 0.0799
Brugia malayi beta-lactamase 0.0038 0.1374 0.1605
Trichomonas vaginalis D-aminoacylase, putative 0.0038 0.1374 0.0818
Schistosoma mansoni tar DNA-binding protein 0.0076 0.3027 0.4143
Brugia malayi MH2 domain containing protein 0.0008 0.0114 0.0133
Trichomonas vaginalis penicillin-binding protein, putative 0.0038 0.1374 0.0818
Loa Loa (eye worm) beta-lactamase 0.0038 0.1374 0.1605
Mycobacterium ulcerans beta-lactamase 0.0038 0.1374 0.1076
Schistosoma mansoni smad 0.0008 0.0114 0.0156
Mycobacterium leprae Probable lipase LipE 0.0038 0.1374 0.0732
Brugia malayi photoreceptor-specific nuclear receptor 0.001 0.0202 0.0236
Mycobacterium ulcerans adenosylmethionine-8-amino-7-oxononanoate aminotransferase 0.0184 0.7582 1
Brugia malayi RNA binding protein 0.0076 0.3027 0.3536
Brugia malayi Pre-SET motif family protein 0.0207 0.8561 1
Brugia malayi acetyltransferase, GNAT family protein 0.0175 0.7218 0.8432
Schistosoma mansoni nuclear receptor 2DBD-gamma 0.001 0.0202 0.0276
Echinococcus granulosus FTZ F1 alpha 0.001 0.0202 0.0276
Brugia malayi Nuclear hormone receptor family member nhr-31 0.001 0.0202 0.0236
Echinococcus multilocularis thyroid hormone receptor alpha 0.001 0.0202 0.0276
Echinococcus multilocularis tar DNA binding protein 0.0076 0.3027 0.4143
Schistosoma mansoni steroid hormone receptor ad4bp 0.001 0.0202 0.0276
Mycobacterium ulcerans lipase LipD 0.0038 0.1374 0.1076
Loa Loa (eye worm) pre-SET domain-containing protein family protein 0.0207 0.8561 1
Schistosoma mansoni coup transcription factor 0.001 0.0202 0.0276
Mycobacterium ulcerans glutamate-1-semialdehyde aminotransferase 0.0026 0.0884 0.0371
Mycobacterium tuberculosis Probable conserved lipoprotein 0.0038 0.1374 0.0799
Loa Loa (eye worm) hypothetical protein 0.001 0.0202 0.0236
Echinococcus granulosus nuclear receptor 2DBD gamma 0.001 0.0202 0.0276
Schistosoma mansoni thyroid hormone receptor 0.001 0.0202 0.0276
Trypanosoma cruzi hypothetical protein, conserved 0.0038 0.1374 1
Loa Loa (eye worm) hypothetical protein 0.0038 0.1374 0.1605
Plasmodium falciparum histone acetyltransferase GCN5 0.0047 0.1781 1
Brugia malayi MH1 domain containing protein 0.0008 0.0114 0.0133
Trichomonas vaginalis D-aminoacylase, putative 0.0038 0.1374 0.0818
Loa Loa (eye worm) Smad1 0.0008 0.0114 0.0133
Echinococcus multilocularis histone lysine N methyltransferase SETMAR 0.003 0.1034 0.1415
Echinococcus multilocularis TGF beta signal transducer SmadC 0.0008 0.0114 0.0156
Loa Loa (eye worm) hypothetical protein 0.001 0.0202 0.0236
Echinococcus multilocularis gcn5proteinral control of amino acid synthesis 0.0175 0.7218 0.9879
Brugia malayi RNA recognition motif domain containing protein 0.0076 0.3027 0.3536
Trichomonas vaginalis acetylornithine aminotransferase, putative 0.0184 0.7582 0.7603
Brugia malayi Ligand-binding domain of nuclear hormone receptor family protein 0.001 0.0202 0.0236
Echinococcus granulosus Aminotransferase class III 0.0026 0.0884 0.121
Echinococcus granulosus tar DNA binding protein 0.0076 0.3027 0.4143
Echinococcus multilocularis geminin 0.0177 0.7307 1
Echinococcus multilocularis guanine nucleotide binding protein G(s) subunit 0.0094 0.3777 0.5169
Loa Loa (eye worm) hypothetical protein 0.001 0.0202 0.0236
Mycobacterium tuberculosis Probable ornithine aminotransferase (N-terminus part) RocD1 (ornithine--oxo-acid aminotransferase) 0.0026 0.0884 0.0275
Echinococcus granulosus ornithine aminotransferase 0.0026 0.0884 0.121
Wolbachia endosymbiont of Brugia malayi acetylornithine transaminase protein 0.0026 0.0884 1
Brugia malayi exodeoxyribonuclease III family protein 0.002 0.0626 0.0731
Schistosoma mansoni Guanine nucleotide-binding protein G(s) subunit alpha (Adenylate cyclase-stimulating G alpha protein) 0.0094 0.3777 0.5169
Brugia malayi beta-lactamase family protein 0.0038 0.1374 0.1605
Mycobacterium tuberculosis Probable hydrolase 0.0038 0.1374 0.0799
Mycobacterium tuberculosis Conserved protein 0.0038 0.1374 0.0799
Echinococcus multilocularis Aminotransferase class III 0.0026 0.0884 0.121
Loa Loa (eye worm) beta-LACTamase domain containing family member 0.0038 0.1374 0.1605
Brugia malayi Steroid receptor seven-up type 2 0.001 0.0202 0.0236
Mycobacterium tuberculosis Probable esterase LipL 0.0038 0.1374 0.0799
Schistosoma mansoni family S12 unassigned peptidase (S12 family) 0.0038 0.1374 0.1881
Brugia malayi Pre-SET motif family protein 0.003 0.1034 0.1208
Echinococcus multilocularis guanine nucleotide binding protein G(s) subunit 0.0094 0.3777 0.5169
Schistosoma mansoni FTZ-F1 nuclear receptor-like protein 0.001 0.0202 0.0276
Loa Loa (eye worm) hypothetical protein 0.001 0.0202 0.0236
Echinococcus multilocularis nuclear receptor 2DBD gamma 0.001 0.0202 0.0276
Brugia malayi Nuclear hormone receptor family member nhr-1 0.001 0.0202 0.0236
Schistosoma mansoni Guanine nucleotide-binding protein G(s) subunit alpha (Adenylate cyclase-stimulating G alpha protein) 0.0094 0.3777 0.5169
Echinococcus granulosus geminin 0.0177 0.7307 1
Schistosoma mansoni smad1 5 8 and 0.0008 0.0114 0.0156
Echinococcus granulosus histone lysine methyltransferase setb 0.003 0.1034 0.1415
Loa Loa (eye worm) hypothetical protein 0.001 0.0202 0.0236
Schistosoma mansoni thyroid hormone receptor 0.001 0.0202 0.0276
Trichomonas vaginalis D-aminoacylase, putative 0.0038 0.1374 0.0818
Echinococcus granulosus ecdysone induced protein 78C 0.001 0.0202 0.0276
Loa Loa (eye worm) MH2 domain-containing protein 0.0117 0.4768 0.557
Loa Loa (eye worm) nuclear hormone receptor family member nhr-40 0.001 0.0202 0.0236
Loa Loa (eye worm) transcription factor SMAD2 0.0117 0.4768 0.557
Brugia malayi Smad1 0.0008 0.0114 0.0133
Echinococcus granulosus Nuclear hormone receptor family member nhr 41 0.001 0.0202 0.0276
Trichomonas vaginalis bromodomain-containing protein, putative 0.0051 0.1963 0.1462
Schistosoma mansoni Tr4/Tr2 (homologue) 0.001 0.0202 0.0276
Giardia lamblia Histone acetyltransferase GCN5 0.0047 0.1781 1
Mycobacterium ulcerans hypothetical protein 0.0184 0.7582 1
Loa Loa (eye worm) hypothetical protein 0.0038 0.1374 0.1605
Echinococcus granulosus mothers against decapentaplegic 5 0.0008 0.0114 0.0156
Mycobacterium tuberculosis Probable lipase LipE 0.0038 0.1374 0.0799
Toxoplasma gondii exonuclease III APE 0.002 0.0626 0.3178
Schistosoma mansoni RAR-like nuclear receptor 0.001 0.0202 0.0276
Brugia malayi steroid hormone receptor 0.001 0.0202 0.0236
Schistosoma mansoni hypothetical protein 0.0177 0.7307 1
Echinococcus multilocularis ecdysone induced protein 78C 0.001 0.0202 0.0276
Schistosoma mansoni histone-lysine n-methyltransferase setb1 0.003 0.1034 0.1415
Mycobacterium ulcerans acetylornithine aminotransferase 0.0026 0.0884 0.0371
Toxoplasma gondii ornithine aminotransferase, mitochondrial precursor, putative 0.0026 0.0884 0.4495
Mycobacterium tuberculosis Probable L-lysine-epsilon aminotransferase Lat (L-lysine aminotransferase) (lysine 6-aminotransferase) 0.0026 0.0884 0.0275
Toxoplasma gondii histone lysine acetyltransferase GCN5-B 0.0051 0.1963 1
Echinococcus multilocularis histone lysine methyltransferase setb histone lysine methyltransferase eggless 0.003 0.1034 0.1415
Schistosoma mansoni TGF-beta signal transducer Smad2 0.0008 0.0114 0.0156
Brugia malayi Nuclear hormone receptor family member nhr-19 0.001 0.0202 0.0236
Schistosoma mansoni tar DNA-binding protein 0.0076 0.3027 0.4143
Echinococcus multilocularis smad 0.0008 0.0114 0.0156
Echinococcus granulosus histone acetyltransferase KAT2B 0.017 0.7009 0.9593
Schistosoma mansoni ornithine--oxo-acid transaminase 0.0026 0.0884 0.121
Onchocerca volvulus 0.0235 0.9775 1
Toxoplasma gondii histone lysine methyltransferase SET/SUV39 0.003 0.1034 0.5262
Brugia malayi Nuclear hormone receptor family member nhr-41 0.001 0.0202 0.0236
Brugia malayi hypothetical protein 0.0158 0.6492 0.7583
Schistosoma mansoni nuclear hormone receptor nor-1/nor-2 0.001 0.0202 0.0276
Mycobacterium ulcerans ornithine aminotransferase RocD1 and RocD2 0.0026 0.0884 0.0371
Echinococcus multilocularis FTZ F1 nuclear receptor protein 0.001 0.0202 0.0276
Loa Loa (eye worm) GTP-binding regulatory protein Gs alpha-S chain 0.0094 0.3777 0.4412
Brugia malayi TAR-binding protein 0.0076 0.3027 0.3536
Brugia malayi Nuclear hormone receptor family member nhr-14 0.001 0.0202 0.0236
Brugia malayi 4-aminobutyrate aminotransferase, mitochondrial precursor 0.0026 0.0884 0.1032
Echinococcus granulosus Smad4 0.0008 0.0114 0.0156
Plasmodium vivax SET domain protein, putative 0.003 0.1034 0.5262
Loa Loa (eye worm) hypothetical protein 0.001 0.0202 0.0236
Brugia malayi Nuclear hormone receptor family member nhr-25 0.001 0.0202 0.0236
Schistosoma mansoni histone-lysine n-methyltransferase setb1 0.003 0.1034 0.1415
Treponema pallidum exodeoxyribonuclease (exoA) 0.002 0.0626 0.5
Echinococcus granulosus FTZ F1 nuclear receptor protein 0.001 0.0202 0.0276
Schistosoma mansoni smad1 5 8 and 0.0008 0.0114 0.0156
Onchocerca volvulus 0.003 0.1034 0.0869
Trypanosoma brucei hypothetical protein, conserved 0.0038 0.1374 1
Mycobacterium tuberculosis Probable esterase/lipase LipP 0.0038 0.1374 0.0799
Loa Loa (eye worm) nuclear hormone receptor family member nhr-14 0.001 0.0202 0.0236
Loa Loa (eye worm) hypothetical protein 0.0038 0.1374 0.1605
Mycobacterium ulcerans 4-aminobutyrate aminotransferase 0.0026 0.0884 0.0371
Plasmodium vivax ornithine aminotransferase, putative 0.0026 0.0884 0.4495
Mycobacterium ulcerans L-lysine aminotransferase 0.0026 0.0884 0.0371
Echinococcus granulosus guanine nucleotide binding protein Gs subunit 0.0094 0.3777 0.5169
Brugia malayi Nuclear hormone receptor family member nhr-40 0.001 0.0202 0.0236
Onchocerca volvulus 0.0038 0.1374 0.1225
Brugia malayi nuclear receptor NHR-88 0.001 0.0202 0.0236
Schistosoma mansoni smad1 5 8 and 0.0008 0.0114 0.0156
Schistosoma mansoni Smad4 0.0008 0.0114 0.0156
Mycobacterium tuberculosis Possible conserved lipoprotein LpqK 0.0038 0.1374 0.0799
Loa Loa (eye worm) hypothetical protein 0.0038 0.1374 0.1605
Schistosoma mansoni Guanine nucleotide-binding protein G(s) subunit alpha (Adenylate cyclase-stimulating G alpha protein) 0.0094 0.3777 0.5169
Brugia malayi Nuclear hormone receptor-like 1 0.001 0.0202 0.0236
Schistosoma mansoni histone-lysine n-methyltransferase setb1 0.003 0.1034 0.1415

Activities

Activity type Activity value Assay description Source Reference
AC50 (functional) 4.14 uM PubChem BioAssay. Mycobacterium tuberculosis BioA enzyme inhibitor Measured in Biochemical System Using Plate Reader - 2163-02_Inhibitor_Dose_CherryPick_Activity. (Class of assay: confirmatory) ChEMBL. No reference
Potency (functional) 7.0795 uM PUBCHEM_BIOASSAY: qHTS Assay for Inhibitors of GCN5L2. (Class of assay: confirmatory) [Related pubchem assays (depositor defined):AID504398] ChEMBL. No reference
Potency (functional) 11.6891 uM PUBCHEM_BIOASSAY: Primary qHTS for delayed death inhibitors of the malarial parasite plastid, 96 hour incubation. (Class of assay: confirmatory) [Related pubchem assays (depositor defined):AID488745, AID488752, AID488774, AID504848, AID504850] ChEMBL. No reference
Potency (functional) 14.1254 uM PubChem BioAssay. qHTS of TDP-43 Inhibitors. (Class of assay: confirmatory) ChEMBL. No reference
Potency (functional) = 79.4328 um PUBCHEM_BIOASSAY: qHTS Assay for Inhibitors of DNA Polymerase Beta. (Class of assay: confirmatory) ChEMBL. No reference
Potency (functional) 89.1251 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
Plasmodium falciparum ChEMBL23

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

Annotated phenotypes:

We have no manually annotated phenotypes for this drug. What does this mean? / Care to help?
In TDR Targets, information about phenotypes that are caused by drugs, or by genetic manipulation of cells (e.g. gene knockouts or knockdowns) is manually curated from the literature. These descriptions help to describe the potential of the target for drug development. If no information is available for this gene or if the information is incomplete, this may mean that i) the papers containing this information either appeared after the curation effort for this organism was carried out or they were inadvertently missed by curators; or that ii) the curation effort for this organism has not yet started.
 
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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