Detailed information for compound 998666

Basic information

Technical information
  • TDR Targets ID: 998666
  • Name: 5-acetyl-N-[(1R)-1-phenylethyl]thiophene-2-ca rboxamide
  • MW: 273.35 | Formula: C15H15NO2S
  • H donors: 1 H acceptors: 2 LogP: 3.13 Rotable bonds: 5
    Rule of 5 violations (Lipinski): 1
  • SMILES: O=C(c1ccc(s1)C(=O)C)N[C@@H](c1ccccc1)C
  • InChi: 1S/C15H15NO2S/c1-10(12-6-4-3-5-7-12)16-15(18)14-9-8-13(19-14)11(2)17/h3-10H,1-2H3,(H,16,18)/t10-/m1/s1
  • InChiKey: PDTFAKXRWJUBFC-SNVBAGLBSA-N  


Substructure search Similarity search

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Synonyms

  • 5-acetyl-N-[(1R)-1-phenylethyl]-2-thiophenecarboxamide
  • 5-ethanoyl-N-[(1R)-1-phenylethyl]thiophene-2-carboxamide
  • ZINC07751153

Targets

Known targets for this compound

Species Target name Source Bibliographic reference
Homo sapiens histone deacetylase 6 Starlite/ChEMBL References

Predicted pathogen targets for this compound

By orthology
Species Potential target Known druggable target/s Ortholog Group
Plasmodium vivax histone deacetylase 2, putative Get druggable targets OG5_126654 All targets in OG5_126654
Schistosoma japonicum Histone deacetylase 10, putative Get druggable targets OG5_126654 All targets in OG5_126654
Trypanosoma brucei histone deacetylase, putative Get druggable targets OG5_126654 All targets in OG5_126654
Leishmania donovani histone deacetylase, putative Get druggable targets OG5_126654 All targets in OG5_126654
Plasmodium knowlesi histone deacetylase 2, putative Get druggable targets OG5_126654 All targets in OG5_126654
Schistosoma japonicum IPR000286,Histone deacetylase superfamily;IPR013838,Beta tubulin, autoregulation binding site,domain-containing Get druggable targets OG5_126654 All targets in OG5_126654
Echinococcus granulosus histone deacetylase 6 Get druggable targets OG5_126654 All targets in OG5_126654
Echinococcus multilocularis histone deacetylase 6 Get druggable targets OG5_126654 All targets in OG5_126654
Trypanosoma congolense histone deacetylase, putative Get druggable targets OG5_126654 All targets in OG5_126654
Brugia malayi Histone deacetylase family protein Get druggable targets OG5_126654 All targets in OG5_126654
Theileria parva histone deacetylase, putative Get druggable targets OG5_126654 All targets in OG5_126654
Cryptosporidium hominis hypothetical protein Get druggable targets OG5_126654 All targets in OG5_126654
Babesia bovis histone deacetylase, putative Get druggable targets OG5_126654 All targets in OG5_126654
Leishmania donovani histone deacetylase, putative Get druggable targets OG5_126654 All targets in OG5_126654
Leishmania mexicana histone deacetylase, putative Get druggable targets OG5_126654 All targets in OG5_126654
Trypanosoma congolense histone deacetylase 4 Get druggable targets OG5_126654 All targets in OG5_126654
Brugia malayi Histone deacetylase family protein Get druggable targets OG5_126654 All targets in OG5_126654
Trypanosoma brucei gambiense histone deacetylase, putative Get druggable targets OG5_126654 All targets in OG5_126654
Leishmania mexicana histone deacetylase, putative Get druggable targets OG5_126654 All targets in OG5_126654
Loa Loa (eye worm) hypothetical protein Get druggable targets OG5_126654 All targets in OG5_126654
Leishmania infantum histone deacetylase, putative Get druggable targets OG5_126654 All targets in OG5_126654
Schistosoma mansoni histone deacetylase 4 5 Get druggable targets OG5_126654 All targets in OG5_126654
Cryptosporidium parvum histone deactylase of possible bacterial origin with ankyrin repeats at the N-terminus Get druggable targets OG5_126654 All targets in OG5_126654
Plasmodium vivax histone deacetylase, putative Get druggable targets OG5_126654 All targets in OG5_126654
Plasmodium yoelii hypothetical protein Get druggable targets OG5_126654 All targets in OG5_126654
Echinococcus granulosus histone deacetylase 7 Get druggable targets OG5_126654 All targets in OG5_126654
Plasmodium berghei histone deacetylase 2, putative Get druggable targets OG5_126654 All targets in OG5_126654
Leishmania major histone deacetylase, putative Get druggable targets OG5_126654 All targets in OG5_126654
Loa Loa (eye worm) hypothetical protein Get druggable targets OG5_126654 All targets in OG5_126654
Echinococcus multilocularis histone deacetylase Get druggable targets OG5_126654 All targets in OG5_126654
Theileria parva hypothetical protein Get druggable targets OG5_126654 All targets in OG5_126654
Leishmania braziliensis histone deacetylase, putative Get druggable targets OG5_126654 All targets in OG5_126654
Theileria parva hypothetical protein Get druggable targets OG5_126654 All targets in OG5_126654
Schistosoma japonicum Histone deacetylase 4, putative Get druggable targets OG5_126654 All targets in OG5_126654
Echinococcus granulosus histone deacetylase Get druggable targets OG5_126654 All targets in OG5_126654
Schistosoma japonicum Histone deacetylase 6, putative Get druggable targets OG5_126654 All targets in OG5_126654
Echinococcus multilocularis histone deacetylase 6 Get druggable targets OG5_126654 All targets in OG5_126654
Plasmodium falciparum histone deacetylase 2 Get druggable targets OG5_126654 All targets in OG5_126654
Echinococcus granulosus histone deacetylase 6 Get druggable targets OG5_126654 All targets in OG5_126654
Plasmodium berghei histone deacetylase, putative Get druggable targets OG5_126654 All targets in OG5_126654
Toxoplasma gondii histone deacetylase HDAC1 Get druggable targets OG5_126654 All targets in OG5_126654
Trypanosoma cruzi histone deacetylase, putative Get druggable targets OG5_126654 All targets in OG5_126654
Trypanosoma cruzi histone deacetylase, putative Get druggable targets OG5_126654 All targets in OG5_126654
Schistosoma japonicum hypothetical protein Get druggable targets OG5_126654 All targets in OG5_126654
Plasmodium knowlesi histone deacetylase, putative Get druggable targets OG5_126654 All targets in OG5_126654
Leishmania infantum histone deacetylase, putative Get druggable targets OG5_126654 All targets in OG5_126654
Neospora caninum hypothetical protein Get druggable targets OG5_126654 All targets in OG5_126654
Trypanosoma brucei histone deacetylase 3 Get druggable targets OG5_126654 All targets in OG5_126654
Leishmania braziliensis histone deacetylase, putative Get druggable targets OG5_126654 All targets in OG5_126654
Candida albicans strong similarity to S. cerevisiae HDA1 (YNL021W) class II histone deacetylase HDA1 complex subunit Get druggable targets OG5_126654 All targets in OG5_126654
Echinococcus granulosus histone deacetylase 6 Get druggable targets OG5_126654 All targets in OG5_126654
Loa Loa (eye worm) histone deacetylase Get druggable targets OG5_126654 All targets in OG5_126654
Echinococcus multilocularis histone deacetylase 6 Get druggable targets OG5_126654 All targets in OG5_126654
Schistosoma japonicum Histone deacetylase 10, putative Get druggable targets OG5_126654 All targets in OG5_126654
Plasmodium falciparum histone deacetylase, putative Get druggable targets OG5_126654 All targets in OG5_126654
Trypanosoma brucei histone deacetylase 4 Get druggable targets OG5_126654 All targets in OG5_126654
Echinococcus multilocularis histone deacetylase 7 Get druggable targets OG5_126654 All targets in OG5_126654
Leishmania major histone deacetylase, putative Get druggable targets OG5_126654 All targets in OG5_126654
Schistosoma mansoni histone deacetylase 4 5 Get druggable targets OG5_126654 All targets in OG5_126654
Trypanosoma congolense histone deacetylase 4 Get druggable targets OG5_126654 All targets in OG5_126654
Schistosoma japonicum Histone deacetylase 6, putative Get druggable targets OG5_126654 All targets in OG5_126654
Schistosoma mansoni histone deacetylase hda2 Get druggable targets OG5_126654 All targets in OG5_126654
Candida albicans strong similarity to S. cerevisiae HDA1 (YNL021W) class II histone deacetylase HDA1 complex subunit Get druggable targets OG5_126654 All targets in OG5_126654
Plasmodium yoelii Histone deacetylase family, putative Get druggable targets OG5_126654 All targets in OG5_126654
Schistosoma japonicum Histone deacetylase 4, putative Get druggable targets OG5_126654 All targets in OG5_126654
Loa Loa (eye worm) histone deacetylase 7A Get druggable targets OG5_126654 All targets in OG5_126654
Trypanosoma cruzi histone deacetylase, putative Get druggable targets OG5_126654 All targets in OG5_126654
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 Guanine nucleotide-binding protein G(s) subunit alpha (Adenylate cyclase-stimulating G alpha protein) 0.0091 0.1019 0.1019
Schistosoma mansoni ubiquitin-specific peptidase 8 (C19 family) 0.0036 0.0324 0.0324
Loa Loa (eye worm) hypothetical protein 0.0075 0.0818 0.1701
Mycobacterium tuberculosis Fatty-acid-AMP ligase FadD30 (fatty-acid-AMP synthetase) (fatty-acid-AMP synthase) 0.0017 0.0079 0.002
Leishmania major 4-coumarate:coa ligase-like protein 0.0023 0.0153 0.157
Schistosoma mansoni histone deacetylase 0.0015 0.0046 0.0046
Brugia malayi hypothetical protein 0.0036 0.032 0.0627
Brugia malayi Histone deacetylase family protein 0.0049 0.0479 0.097
Mycobacterium ulcerans hypothetical protein 0.0023 0.0153 0.1002
Mycobacterium ulcerans long-chain-fatty-acid-CoA ligase 0.0023 0.0153 0.1002
Echinococcus granulosus geminin 0.0352 0.4335 0.4335
Toxoplasma gondii histone deacetylase HDAC1 0.0049 0.0479 0.3724
Echinococcus multilocularis histone deacetylase 8 0.0015 0.0046 0.0046
Loa Loa (eye worm) histone deacetylase 11 0.0015 0.0046 0.0037
Echinococcus granulosus mixed lineage leukemia protein mll 0.0014 0.0037 0.0037
Echinococcus multilocularis dnaJ subfamily B 0.0797 1 1
Trichomonas vaginalis alpha-glucosidase, putative 0.0036 0.0314 0.3671
Brugia malayi hypothetical protein 0.0016 0.0061 0.0069
Mycobacterium tuberculosis Conserved protein 0.0075 0.0818 0.127
Brugia malayi histone deacetylase 1 (HD1) 0.0015 0.0046 0.0037
Schistosoma mansoni family S12 unassigned peptidase (S12 family) 0.0075 0.0818 0.0818
Loa Loa (eye worm) hypothetical protein 0.0023 0.0153 0.0267
Brugia malayi Glycosyl hydrolases family 31 protein 0.0036 0.0314 0.0614
Trichomonas vaginalis D-aminoacylase, putative 0.0075 0.0818 1
Trichomonas vaginalis alpha-glucosidase, putative 0.0013 0.0029 0.0097
Loa Loa (eye worm) histone deacetylase 0.0049 0.0479 0.097
Schistosoma mansoni hypothetical protein 0.0352 0.4335 0.4335
Echinococcus granulosus neutral alpha glucosidase AB 0.0036 0.0314 0.0314
Echinococcus granulosus histone deacetylase 3 0.0015 0.0046 0.0046
Leishmania major alpha glucosidase II subunit, putative 0.0036 0.0314 0.361
Leishmania major ubiquitin hydrolase, putative,cysteine peptidase, Clan CA, family C19, putative 0.0036 0.0324 0.3741
Trypanosoma brucei hypothetical protein, conserved 0.0075 0.0818 1
Brugia malayi F/Y-rich N-terminus family protein 0.0017 0.0078 0.0104
Onchocerca volvulus Histone deacetylase 10 homolog 0.0015 0.0046 0.0169
Leishmania major 4-coumarate:coa ligase-like protein 0.0023 0.0153 0.157
Loa Loa (eye worm) histone deacetylase 7A 0.0049 0.0479 0.097
Trichomonas vaginalis alpha-glucosidase, putative 0.0036 0.0314 0.3671
Echinococcus multilocularis guanine nucleotide binding protein G(s) subunit 0.0091 0.1019 0.1019
Toxoplasma gondii LsmAD domain-containing protein 0.0024 0.0172 0.1077
Loa Loa (eye worm) transcription factor SMAD2 0.012 0.1387 0.2927
Toxoplasma gondii histone lysine methyltransferase SET1 0.0106 0.1209 1
Echinococcus multilocularis cpg binding protein 0.0059 0.0613 0.0613
Mycobacterium tuberculosis Conserved protein 0.0075 0.0818 0.127
Echinococcus granulosus beta LACTamase domain containing family member 0.0075 0.0818 0.0818
Leishmania major hypothetical protein, conserved 0.0075 0.0818 1
Schistosoma mansoni mixed-lineage leukemia protein mll 0.0014 0.0037 0.0037
Loa Loa (eye worm) hypothetical protein 0.0015 0.0046 0.0037
Mycobacterium ulcerans fusion of enoyl-CoA hydratase, EchA21 and lipase, LipE 0.0075 0.0818 1
Loa Loa (eye worm) hypothetical protein 0.0034 0.0293 0.0569
Echinococcus multilocularis geminin 0.0352 0.4335 0.4335
Toxoplasma gondii glycosyl hydrolase, family 31 protein 0.0036 0.0314 0.2302
Mycobacterium ulcerans acyl-CoA synthetase 0.0023 0.0153 0.1002
Loa Loa (eye worm) hypothetical protein 0.0075 0.0818 0.1701
Echinococcus granulosus histone lysine N methyltransferase MLL3 0.0014 0.0037 0.0037
Loa Loa (eye worm) hypothetical protein 0.0075 0.0818 0.1701
Schistosoma mansoni Guanine nucleotide-binding protein G(s) subunit alpha (Adenylate cyclase-stimulating G alpha protein) 0.0091 0.1019 0.1019
Mycobacterium tuberculosis Probable esterase LipL 0.0075 0.0818 0.127
Trichomonas vaginalis Clan CA, family C19, ubiquitin hydrolase-like cysteine peptidase 0.0036 0.0324 0.3802
Schistosoma mansoni hypothetical protein 0.0036 0.032 0.032
Loa Loa (eye worm) hypothetical protein 0.0075 0.0818 0.1701
Entamoeba histolytica hypothetical protein 0.0036 0.032 0.986
Echinococcus granulosus histone deacetylase 1 0.0015 0.0046 0.0046
Echinococcus granulosus histone deacetylase 8 0.0015 0.0046 0.0046
Trichomonas vaginalis histone deacetylase 1, 2 ,3, putative 0.0015 0.0046 0.0311
Brugia malayi histone deacetylase 3 (HD3) 0.0015 0.0046 0.0037
Schistosoma mansoni tar DNA-binding protein 0.0378 0.4667 0.4667
Trichomonas vaginalis D-aminoacylase, putative 0.0075 0.0818 1
Schistosoma mansoni histone deacetylase 4 5 0.0049 0.0479 0.0479
Plasmodium falciparum acyl-CoA synthetase 0.0017 0.0079 0.0756
Trypanosoma cruzi histone deacetylase, putative 0.0049 0.0479 0.5705
Echinococcus multilocularis neutral alpha glucosidase AB 0.0036 0.0314 0.0314
Schistosoma mansoni cpg binding protein 0.0059 0.0613 0.0613
Echinococcus multilocularis guanine nucleotide binding protein G(s) subunit 0.0091 0.1019 0.1019
Schistosoma mansoni Guanine nucleotide-binding protein G(s) subunit alpha (Adenylate cyclase-stimulating G alpha protein) 0.0091 0.1019 0.1019
Schistosoma mansoni histone deacetylase 4 5 0.0049 0.0479 0.0479
Loa Loa (eye worm) hypothetical protein 0.0023 0.0153 0.0267
Echinococcus multilocularis tar DNA binding protein 0.0378 0.4667 0.4667
Trypanosoma cruzi histone deacetylase 1, putative 0.0015 0.0046 0.0217
Trypanosoma cruzi ubiquitin carboxyl-terminal hydrolase, putative 0.0036 0.0324 0.3741
Brugia malayi AMP-binding enzyme family protein 0.0023 0.0153 0.0267
Trichomonas vaginalis histone deacetylase, putative 0.0015 0.0046 0.0311
Brugia malayi Histone deacetylase 1 0.0015 0.0046 0.0037
Trypanosoma cruzi histone deacetylase, putative 0.0015 0.0046 0.0217
Entamoeba histolytica histone deacetylase, putative 0.0015 0.0046 0.0579
Trichomonas vaginalis alpha-glucosidase, putative 0.0036 0.0314 0.3671
Brugia malayi MH2 domain containing protein 0.012 0.1387 0.2927
Entamoeba histolytica acyl-coA synthetase, putative 0.0023 0.0153 0.4196
Loa Loa (eye worm) beta-LACTamase domain containing family member 0.0075 0.0818 0.1701
Schistosoma mansoni tar DNA-binding protein 0.0378 0.4667 0.4667
Leishmania major histone deacetylase, putative 0.0015 0.0046 0.0217
Mycobacterium tuberculosis Probable esterase/lipase LipP 0.0075 0.0818 0.127
Echinococcus multilocularis histone deacetylase 6 0.0049 0.0479 0.0479
Schistosoma mansoni histone deacetylase hda2 0.0015 0.0046 0.0046
Onchocerca volvulus 0.0075 0.0818 0.7782
Entamoeba histolytica glycosyl hydrolase, family 31 protein 0.0036 0.0314 0.9648
Trichomonas vaginalis alpha-glucosidase, putative 0.0013 0.0029 0.0097
Mycobacterium leprae conserved hypothetical protein 0.0075 0.0818 1
Entamoeba histolytica hypothetical protein 0.0036 0.032 0.986
Trypanosoma cruzi histone deacetylase, putative 0.0015 0.0046 0.0217
Loa Loa (eye worm) RNA binding protein 0.0378 0.4667 1
Onchocerca volvulus 0.0093 0.1043 1
Brugia malayi CXXC zinc finger family protein 0.0056 0.0572 0.1171
Echinococcus granulosus ubiquitin specific protease 41 0.0036 0.0324 0.0324
Schistosoma mansoni family S12 unassigned peptidase (S12 family) 0.0075 0.0818 0.0818
Loa Loa (eye worm) hypothetical protein 0.0017 0.0079 0.0107
Mycobacterium tuberculosis Probable lipase LipD 0.0075 0.0818 0.127
Trichomonas vaginalis alpha-glucosidase, putative 0.0013 0.0029 0.0097
Echinococcus multilocularis histone deacetylase 3 0.0015 0.0046 0.0046
Mycobacterium ulcerans beta-lactamase 0.0075 0.0818 1
Leishmania major hypothetical protein, conserved 0.0024 0.0172 0.1804
Schistosoma mansoni tar DNA-binding protein 0.0378 0.4667 0.4667
Trichomonas vaginalis neutral alpha-glucosidase ab precursor, putative 0.0036 0.0314 0.3671
Brugia malayi Hypothetical 52.5 kDa protein ZK945.1 in chromosome II, putative 0.0075 0.0818 0.1701
Brugia malayi hypothetical protein 0.0024 0.0172 0.0307
Loa Loa (eye worm) hypothetical protein 0.0075 0.0818 0.1701
Schistosoma mansoni mixed-lineage leukemia protein mll 0.0119 0.137 0.137
Entamoeba histolytica hypothetical protein 0.0036 0.032 0.986
Echinococcus granulosus lysosomal alpha glucosidase 0.0161 0.1905 0.1905
Trichomonas vaginalis histone deacetylase, putative 0.0015 0.0046 0.0311
Echinococcus granulosus histone deacetylase 6 0.0049 0.0479 0.0479
Trichomonas vaginalis penicillin-binding protein, putative 0.0075 0.0818 1
Trichomonas vaginalis conserved hypothetical protein 0.0036 0.0324 0.3802
Plasmodium vivax acyl-CoA synthetase, putative 0.0017 0.0079 0.0424
Echinococcus multilocularis histone lysine N methyltransferase MLL3 0.0014 0.0037 0.0037
Brugia malayi RNA binding protein 0.0378 0.4667 1
Loa Loa (eye worm) hypothetical protein 0.0017 0.0079 0.0107
Trichomonas vaginalis sucrase-isomaltase, putative 0.0036 0.0314 0.3671
Mycobacterium ulcerans hypothetical protein 0.0075 0.0818 1
Schistosoma mansoni alpha-glucosidase 0.0138 0.1621 0.1621
Trypanosoma brucei histone deacetylase 2 0.0015 0.0046 0.0217
Mycobacterium tuberculosis Conserved protein 0.0075 0.0818 0.127
Trichomonas vaginalis maltase-glucoamylase, putative 0.0036 0.0314 0.3671
Brugia malayi beta-lactamase 0.0075 0.0818 0.1701
Echinococcus multilocularis histone deacetylase 6 0.0056 0.0574 0.0574
Trichomonas vaginalis histone deacetylase, putative 0.0015 0.0046 0.0311
Trypanosoma cruzi PAB1-binding protein , putative 0.0024 0.0172 0.1804
Trichomonas vaginalis maltase-glucoamylase, putative 0.0013 0.0029 0.0097
Giardia lamblia Ubiquitin carboxyl-terminal hydrolase 4 0.0036 0.0324 1
Onchocerca volvulus 0.0056 0.0572 0.5356
Mycobacterium tuberculosis Probable hydrolase 0.0075 0.0818 0.127
Loa Loa (eye worm) RNA recognition domain-containing protein domain-containing protein 0.0378 0.4667 1
Schistosoma mansoni tar DNA-binding protein 0.0378 0.4667 0.4667
Trichomonas vaginalis histone deacetylase, putative 0.0015 0.0046 0.0311
Loa Loa (eye worm) beta-lactamase 0.0075 0.0818 0.1701
Mycobacterium tuberculosis Probable lipase LipE 0.0075 0.0818 0.127
Trypanosoma brucei histone deacetylase 3 0.0049 0.0479 0.5705
Onchocerca volvulus 0.0075 0.0818 0.7782
Trypanosoma brucei histone deacetylase, putative 0.0049 0.0479 0.5705
Schistosoma mansoni cpg binding protein 0.0056 0.0572 0.0572
Echinococcus multilocularis ubiquitin specific protease 41 0.0036 0.0324 0.0324
Trypanosoma cruzi histone deacetylase, putative 0.0049 0.0479 0.5705
Schistosoma mansoni cpg binding protein 0.0059 0.0613 0.0613
Mycobacterium ulcerans fatty-acid-CoA ligase 0.0023 0.0153 0.1002
Trypanosoma brucei histone deacetylase 4 0.0049 0.0479 0.5705
Echinococcus multilocularis atpase aaa+ type core atpase aaa type core 0.0787 0.9877 0.9877
Schistosoma mansoni hypothetical protein 0.0797 1 1
Trypanosoma cruzi hypothetical protein, conserved 0.0075 0.0818 1
Plasmodium falciparum histone deacetylase, putative 0.0049 0.0479 1
Echinococcus multilocularis lysosomal alpha glucosidase 0.0161 0.1905 0.1905
Echinococcus multilocularis mixed lineage leukemia protein mll 0.0014 0.0037 0.0037
Entamoeba histolytica glycosyl hydrolase, family 31 protein 0.0036 0.0314 0.9648
Brugia malayi Ubiquitin carboxyl-terminal hydrolase family protein 0.0036 0.0324 0.0636
Entamoeba histolytica acyl-CoA synthetase, putative 0.0023 0.0153 0.4196
Loa Loa (eye worm) histone methyltransferase 0.0017 0.0081 0.0111
Trichomonas vaginalis alpha-glucosidase, putative 0.0036 0.0314 0.3671
Entamoeba histolytica acyl-CoA synthetase, putative 0.0023 0.0153 0.4196
Loa Loa (eye worm) CXXC zinc finger family protein 0.0056 0.0572 0.1171
Trypanosoma cruzi ubiquitin carboxyl-terminal hydrolase, putative 0.0036 0.0324 0.3741
Loa Loa (eye worm) hypothetical protein 0.0023 0.0153 0.0267
Brugia malayi AMP-binding enzyme family protein 0.0023 0.0153 0.0267
Mycobacterium ulcerans long-chain-fatty-acid--CoA ligase 0.0023 0.0153 0.1002
Loa Loa (eye worm) TAR-binding protein 0.0378 0.4667 1
Mycobacterium ulcerans long-chain fatty-acid CoA ligase 0.0023 0.0153 0.1002
Echinococcus multilocularis lysosomal alpha glucosidase 0.0161 0.1905 0.1905
Echinococcus granulosus histone deacetylase 7 0.0049 0.0479 0.0479
Plasmodium falciparum ataxin-2 like protein, putative 0.0024 0.0172 0.2893
Plasmodium vivax histone deacetylase 2, putative 0.0049 0.0479 0.561
Schistosoma mansoni alpha glucosidase 0.0036 0.0314 0.0314
Schistosoma mansoni tar DNA-binding protein 0.0378 0.4667 0.4667
Chlamydia trachomatis acylglycerophosphoethanolamine acyltransferase 0.0017 0.0079 0.5
Brugia malayi histone deacetylase 11 0.0015 0.0046 0.0037
Loa Loa (eye worm) hypothetical protein 0.0017 0.0079 0.0107
Brugia malayi beta-lactamase family protein 0.0075 0.0818 0.1701
Loa Loa (eye worm) hypothetical protein 0.0024 0.0172 0.0307
Brugia malayi AMP-binding enzyme family protein 0.0023 0.0153 0.0267
Echinococcus granulosus tar DNA binding protein 0.0378 0.4667 0.4667
Onchocerca volvulus 0.0075 0.0818 0.7782
Trypanosoma brucei glucosidase, putative 0.0036 0.0314 0.361
Trichomonas vaginalis alpha-glucosidase, putative 0.0036 0.0314 0.3671
Schistosoma mansoni histone deacetylase 0.0015 0.0046 0.0046
Echinococcus multilocularis histone deacetylase 6 0.0049 0.0479 0.0479
Leishmania major histone deacetylase, putative 0.0049 0.0479 0.5705
Loa Loa (eye worm) glycosyl hydrolase family 31 protein 0.0036 0.0314 0.0614
Plasmodium vivax ataxin-2 like protein, putative 0.0024 0.0172 0.1623
Trichomonas vaginalis histone deacetylase 1, 2 ,3, putative 0.0015 0.0046 0.0311
Trypanosoma brucei histone deacetylase 1 0.0015 0.0046 0.0217
Echinococcus multilocularis Basic leucine zipper (bZIP) transcription 0.0036 0.032 0.032
Loa Loa (eye worm) MH2 domain-containing protein 0.012 0.1387 0.2927
Echinococcus granulosus histone deacetylase 6 0.0056 0.0574 0.0574
Mycobacterium ulcerans acyl-CoA synthetase 0.0023 0.0153 0.1002
Trichomonas vaginalis histone deacetylase 1, 2 ,3, putative 0.0015 0.0046 0.0311
Brugia malayi TAR-binding protein 0.0378 0.4667 1
Entamoeba histolytica ubiquitin carboxyl-terminal hydrolase domain containing protein 0.0036 0.0324 1
Echinococcus granulosus histone deacetylase 0.0049 0.0479 0.0479
Echinococcus multilocularis ubiquitin carboxyl terminal hydrolase 8 0.0036 0.0324 0.0324
Onchocerca volvulus 0.0023 0.0153 0.1222
Echinococcus multilocularis histone deacetylase 1 0.0015 0.0046 0.0046
Leishmania major histone deacetylase, putative 0.0015 0.0046 0.0217
Mycobacterium ulcerans esterase/lipase LipP 0.0075 0.0818 1
Echinococcus multilocularis beta LACTamase domain containing family member 0.0075 0.0818 0.0818
Trichomonas vaginalis neutral alpha-glucosidase ab precursor, putative 0.0013 0.0029 0.0097
Echinococcus multilocularis histone deacetylase 0.0049 0.0479 0.0479
Trichomonas vaginalis neutral alpha-glucosidase ab precursor, putative 0.0036 0.0314 0.3671
Echinococcus granulosus histone deacetylase 6 0.0049 0.0479 0.0479
Trypanosoma cruzi PAB1-binding protein , putative 0.0024 0.0172 0.1804
Trypanosoma brucei ubiquitin carboxyl-terminal hydrolase, putative 0.0036 0.0324 0.3741
Trichomonas vaginalis histone deacetylase, putative 0.0015 0.0046 0.0311
Trypanosoma cruzi hypothetical protein, conserved 0.0075 0.0818 1
Echinococcus granulosus cpg binding protein 0.0059 0.0613 0.0613
Loa Loa (eye worm) hypothetical protein 0.0017 0.0079 0.0107
Echinococcus granulosus histone lysine N methyltransferase MLL3 0.0017 0.0081 0.0081
Echinococcus multilocularis histone lysine N methyltransferase MLL3 0.0017 0.0081 0.0081
Loa Loa (eye worm) hypothetical protein 0.0017 0.0079 0.0107
Trichomonas vaginalis esterase, putative 0.0075 0.0818 1
Trichomonas vaginalis penicillin-binding protein, putative 0.0075 0.0818 1
Echinococcus granulosus Basic leucine zipper bZIP transcription 0.0036 0.032 0.032
Brugia malayi Histone deacetylase family protein 0.0049 0.0479 0.097
Schistosoma mansoni alpha-glucosidase 0.0138 0.1621 0.1621
Trichomonas vaginalis D-aminoacylase, putative 0.0075 0.0818 1
Brugia malayi GTP-binding regulatory protein Gs alpha-S chain, putative 0.0091 0.1019 0.2135
Loa Loa (eye worm) hypothetical protein 0.0041 0.0388 0.0774
Loa Loa (eye worm) histone deacetylase 1 0.0015 0.0046 0.0037
Brugia malayi Glycosyl hydrolases family 31 protein 0.0161 0.1905 0.4045
Trichomonas vaginalis histone deacetylase, putative 0.0015 0.0046 0.0311
Schistosoma mansoni histone deacetylase hda2 0.0056 0.0574 0.0574
Schistosoma mansoni hypothetical protein 0.0352 0.4335 0.4335
Entamoeba histolytica hypothetical protein 0.0036 0.032 0.986
Mycobacterium ulcerans lipase LipD 0.0075 0.0818 1
Mycobacterium tuberculosis Probable chain -fatty-acid-CoA ligase FadD13 (fatty-acyl-CoA synthetase) 0.0023 0.0153 0.0145
Plasmodium vivax histone deacetylase, putative 0.0049 0.0479 0.561
Echinococcus granulosus Peptidase C19 ubiquitin carboxyl terminal hydrolase 2 0.0036 0.0324 0.0324
Trypanosoma cruzi hypothetical protein, conserved 0.0036 0.0314 0.361
Loa Loa (eye worm) histone deacetylase 3 0.0015 0.0046 0.0037
Echinococcus multilocularis Peptidase C19, ubiquitin carboxyl terminal hydrolase 2 0.0036 0.0324 0.0324
Echinococcus granulosus guanine nucleotide binding protein Gs subunit 0.0091 0.1019 0.1019
Brugia malayi RNA recognition motif domain containing protein 0.0378 0.4667 1
Trichomonas vaginalis Clan CA, family C19, ubiquitin hydrolase-like cysteine peptidase 0.0036 0.0324 0.3802
Mycobacterium tuberculosis Probable fatty-acid-CoA ligase FadD2 (fatty-acid-CoA synthetase) (fatty-acid-CoA synthase) 0.0023 0.0153 0.0145
Loa Loa (eye worm) hypothetical protein 0.0036 0.0324 0.0636
Mycobacterium tuberculosis Possible conserved lipoprotein LpqK 0.0075 0.0818 0.127
Toxoplasma gondii ABC1 family protein 0.0075 0.0818 0.6638
Mycobacterium ulcerans acyl-CoA synthetase 0.0023 0.0153 0.1002
Trichomonas vaginalis alpha-glucosidase, putative 0.0013 0.0029 0.0097
Schistosoma mansoni transcription factor LCR-F1 0.0036 0.032 0.032
Mycobacterium tuberculosis Probable conserved lipoprotein 0.0075 0.0818 0.127
Mycobacterium tuberculosis Possible penicillin-binding protein 0.0481 0.598 1
Brugia malayi beta-lactamase family protein 0.0075 0.0818 0.1701
Echinococcus granulosus ubiquitin carboxyl terminal hydrolase 8 0.0036 0.0324 0.0324
Plasmodium falciparum ataxin-2 like protein, putative 0.0024 0.0172 0.2893
Schistosoma mansoni ubiquitin-specific peptidase 2 (C19 family) 0.0036 0.0324 0.0324
Trypanosoma brucei PAB1-binding protein , putative 0.0024 0.0172 0.1804
Schistosoma mansoni histone deacetylase 1 2 3 0.0015 0.0046 0.0046
Echinococcus granulosus guanine nucleotide binding protein Gs subunit 0.0091 0.1019 0.1019
Trypanosoma cruzi histone deacetylase, putative 0.0049 0.0479 0.5705
Trichomonas vaginalis alpha-glucosidase, putative 0.0013 0.0029 0.0097
Trypanosoma cruzi hypothetical protein, conserved 0.0036 0.0314 0.361
Leishmania major 4-coumarate:coa ligase-like protein 0.0023 0.0153 0.157
Loa Loa (eye worm) hypothetical protein 0.0015 0.0046 0.0037
Trypanosoma cruzi histone deacetylase 1, putative 0.0015 0.0046 0.0217
Trichomonas vaginalis neutral alpha-glucosidase ab precursor, putative 0.0013 0.0029 0.0097
Plasmodium vivax hypothetical protein, conserved 0.0075 0.0818 1
Loa Loa (eye worm) GTP-binding regulatory protein Gs alpha-S chain 0.0091 0.1019 0.2135
Plasmodium falciparum histone deacetylase 2 0.0049 0.0479 1
Loa Loa (eye worm) hypothetical protein 0.0075 0.0818 0.1701
Echinococcus multilocularis histone deacetylase 7 0.0049 0.0479 0.0479
Leishmania major histone deacetylase, putative 0.0049 0.0479 0.5705
Loa Loa (eye worm) glycosyl hydrolase family 31 protein 0.0161 0.1905 0.4045
Mycobacterium leprae Probable lipase LipE 0.0075 0.0818 1

Activities

Activity type Activity value Assay description Source Reference
Activity (binding) Inhibition of HDAC3 at 10 uM ChEMBL. 18440229
Activity (binding) Inhibition of HDAC1 at 10 uM ChEMBL. 18440229
Activity (binding) Inhibition of wild type HDAC4 at 10 uM ChEMBL. 18440229
IC50 (binding) = 6900 nM Inhibition of HDAC6 ChEMBL. 18440229

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

1 literature reference was collected for this gene.

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