Detailed information for compound 1180009

Basic information

Technical information
  • Name: Unnamed compound
  • MW: 446.027 | Formula: C17H16ClNO3S4
  • H donors: 1 H acceptors: 3 LogP: 5.13 Rotable bonds: 9
    Rule of 5 violations (Lipinski): 1
  • SMILES: CCSC(=S)SCC(=O)c1ccc(cc1)NS(=O)(=O)c1ccc(cc1)Cl
  • InChi: 1S/C17H16ClNO3S4/c1-2-24-17(23)25-11-16(20)12-3-7-14(8-4-12)19-26(21,22)15-9-5-13(18)6-10-15/h3-10,19H,2,11H2,1H3
  • InChiKey: VAQCHLOIYHPFNM-UHFFFAOYSA-N  


Substructure search Similarity search

Network

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Synonyms

No synonyms found for this compound

Targets

Known targets for this compound

Species Target name Source Bibliographic reference
Homo sapiens histone deacetylase 8 References
Homo sapiens histone deacetylase 2 References
Homo sapiens histone deacetylase 9 Starlite/ChEMBL References
Homo sapiens histone deacetylase 1 Starlite/ChEMBL References
Homo sapiens histone deacetylase 6 Starlite/ChEMBL References
Homo sapiens histone deacetylase 10 References
Homo sapiens histone deacetylase 7 References
Homo sapiens histone deacetylase 3 References

Predicted pathogen targets for this compound

By orthology
Species Potential target Known druggable target/s Ortholog Group
Cryptosporidium hominis hypothetical protein Get druggable targets OG5_126654 All targets in OG5_126654
Loa Loa (eye worm) hypothetical protein Get druggable targets OG5_126742 All targets in OG5_126742
Babesia bovis histone deacetylase Get druggable targets OG5_126742 All targets in OG5_126742
Leishmania major histone deacetylase, putative Get druggable targets OG5_126742 All targets in OG5_126742
Leishmania mexicana histone deacetylase, putative Get druggable targets OG5_126742 All targets in OG5_126742
Leishmania major histone deacetylase, putative Get druggable targets OG5_126742 All targets in OG5_126742
Schistosoma japonicum hypothetical protein 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
Brugia malayi histone deacetylase 1 (HD1) Get druggable targets OG5_126742 All targets in OG5_126742
Schistosoma japonicum Histone deacetylase 10, putative 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
Leishmania mexicana histone deacetylase, 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
Echinococcus multilocularis histone deacetylase 7 Get druggable targets OG5_126654 All targets in OG5_126654
Candida albicans one of two distinct genes with strong similarity to S. cerevisiae RPD3 (YNL330C) SIN3 histone deacetylase complex component Get druggable targets OG5_126742 All targets in OG5_126742
Trichomonas vaginalis histone deacetylase, putative Get druggable targets OG5_126742 All targets in OG5_126742
Echinococcus granulosus histone deacetylase 1 Get druggable targets OG5_126742 All targets in OG5_126742
Plasmodium vivax histone deacetylase 1, putative Get druggable targets OG5_126742 All targets in OG5_126742
Brugia malayi Histone deacetylase family protein Get druggable targets OG5_126654 All targets in OG5_126654
Cryptosporidium parvum histone deacetylase HDA2/Rpd3p Get druggable targets OG5_126742 All targets in OG5_126742
Echinococcus multilocularis histone deacetylase 1 Get druggable targets OG5_126742 All targets in OG5_126742
Plasmodium yoelii Histone deacetylase family, putative Get druggable targets OG5_126654 All targets in OG5_126654
Schistosoma mansoni histone deacetylase Get druggable targets OG5_126742 All targets in OG5_126742
Leishmania infantum histone deacetylase, putative Get druggable targets OG5_126654 All targets in OG5_126654
Theileria parva histone deacetylase, putative Get druggable targets OG5_126742 All targets in OG5_126742
Trichomonas vaginalis histone deacetylase, putative Get druggable targets OG5_126742 All targets in OG5_126742
Schistosoma mansoni histone deacetylase 4 5 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
Cryptosporidium hominis histone deacetylase Get druggable targets OG5_126742 All targets in OG5_126742
Theileria parva histone deacetylase, putative 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
Schistosoma japonicum IPR000286,Histone deacetylase superfamily;IPR013838,Beta tubulin, autoregulation binding site,domain-containing 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
Loa Loa (eye worm) hypothetical protein Get druggable targets OG5_126654 All targets in OG5_126654
Leishmania mexicana histone deacetylase, putative Get druggable targets OG5_126742 All targets in OG5_126742
Trypanosoma congolense histone deacetylase 4 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 brucei gambiense histone deacetylase, putative Get druggable targets OG5_126654 All targets in OG5_126654
Leishmania infantum histone deacetylase, putative Get druggable targets OG5_126742 All targets in OG5_126742
Trichomonas vaginalis histone deacetylase, putative Get druggable targets OG5_126742 All targets in OG5_126742
Cryptosporidium parvum RPD3/HD1 histone deacetylase Get druggable targets OG5_126742 All targets in OG5_126742
Leishmania braziliensis histone deacetylase, putative Get druggable targets OG5_126654 All targets in OG5_126654
Brugia malayi Histone deacetylase 1 Get druggable targets OG5_126742 All targets in OG5_126742
Echinococcus multilocularis histone deacetylase 6 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
Leishmania donovani histone deacetylase, putative Get druggable targets OG5_126742 All targets in OG5_126742
Trypanosoma cruzi histone deacetylase 1, putative Get druggable targets OG5_126742 All targets in OG5_126742
Echinococcus granulosus histone deacetylase 3 Get druggable targets OG5_126742 All targets in OG5_126742
Echinococcus granulosus histone deacetylase 7 Get druggable targets OG5_126654 All targets in OG5_126654
Plasmodium yoelii hypothetical protein Get druggable targets OG5_126654 All targets in OG5_126654
Trichomonas vaginalis histone deacetylase, putative Get druggable targets OG5_126742 All targets in OG5_126742
Schistosoma mansoni histone deacetylase hda2 Get druggable targets OG5_126654 All targets in OG5_126654
Plasmodium falciparum histone deacetylase 1 Get druggable targets OG5_126742 All targets in OG5_126742
Loa Loa (eye worm) histone deacetylase 3 Get druggable targets OG5_126742 All targets in OG5_126742
Leishmania braziliensis 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
Plasmodium falciparum histone deacetylase, putative Get druggable targets OG5_126654 All targets in OG5_126654
Plasmodium knowlesi histone deacetylase 1, putative Get druggable targets OG5_126742 All targets in OG5_126742
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
Brugia malayi Histone deacetylase family protein Get druggable targets OG5_126654 All targets in OG5_126654
Plasmodium berghei histone deacetylase 1, putative Get druggable targets OG5_126742 All targets in OG5_126742
Leishmania donovani histone deacetylase, putative Get druggable targets OG5_126654 All targets in OG5_126654
Trichomonas vaginalis histone deacetylase 1, 2 ,3, putative Get druggable targets OG5_126742 All targets in OG5_126742
Echinococcus granulosus histone deacetylase 6 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
Trypanosoma congolense histone deacetylase-like 1 protein, putative Get druggable targets OG5_126742 All targets in OG5_126742
Cryptosporidium hominis histone deacetylase Get druggable targets OG5_126742 All targets in OG5_126742
Candida albicans one of two distinct genes with strong similarity to S. cerevisiae RPD3 (YNL330C) SIN3 histone deacetylase complex component Get druggable targets OG5_126742 All targets in OG5_126742
Trypanosoma brucei histone deacetylase 1 Get druggable targets OG5_126742 All targets in OG5_126742
Entamoeba histolytica histone deacetylase, putative Get druggable targets OG5_126742 All targets in OG5_126742
Schistosoma japonicum Histone deacetylase 4, putative Get druggable targets OG5_126654 All targets in OG5_126654
Candida albicans one of two distinct genes with strong similarity to S. cerevisiae RPD3 (YNL330C) SIN3 histone deacetylase complex component Get druggable targets OG5_126742 All targets in OG5_126742
Brugia malayi histone deacetylase 3 (HD3) Get druggable targets OG5_126742 All targets in OG5_126742
Leishmania infantum histone deacetylase, putative 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
Plasmodium falciparum histone deacetylase 2 Get druggable targets OG5_126654 All targets in OG5_126654
Leishmania infantum histone deacetylase, putative Get druggable targets OG5_126742 All targets in OG5_126742
Schistosoma japonicum ko:K06067 histone deacetylase 1/2, putative Get druggable targets OG5_126742 All targets in OG5_126742
Theileria parva hypothetical protein Get druggable targets OG5_126654 All targets in OG5_126654
Plasmodium vivax histone deacetylase 2, putative 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
Leishmania donovani histone deacetylase, putative Get druggable targets OG5_126742 All targets in OG5_126742
Neospora caninum histone deacetylase, putative Get druggable targets OG5_126742 All targets in OG5_126742
Echinococcus multilocularis histone deacetylase 3 Get druggable targets OG5_126742 All targets in OG5_126742
Toxoplasma gondii histone deacetylase HDAC3 Get druggable targets OG5_126742 All targets in OG5_126742
Theileria parva hypothetical protein Get druggable targets OG5_126654 All targets in OG5_126654
Loa Loa (eye worm) histone deacetylase 1 Get druggable targets OG5_126742 All targets in OG5_126742
Plasmodium knowlesi 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 cruzi histone deacetylase, 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
Schistosoma mansoni histone deacetylase 4 5 Get druggable targets OG5_126654 All targets in OG5_126654
Trichomonas vaginalis histone deacetylase 1, 2 ,3, putative Get druggable targets OG5_126742 All targets in OG5_126742
Candida albicans one of two distinct genes with strong similarity to S. cerevisiae RPD3 (YNL330C) SIN3 histone deacetylase complex component Get druggable targets OG5_126742 All targets in OG5_126742
Trypanosoma brucei histone deacetylase 4 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
Trypanosoma brucei histone deacetylase 3 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
Neospora caninum hypothetical protein Get druggable targets OG5_126742 All targets in OG5_126742
Echinococcus multilocularis histone deacetylase Get druggable targets OG5_126654 All targets in OG5_126654
Leishmania braziliensis histone deacetylase, putative Get druggable targets OG5_126742 All targets in OG5_126742
Trichomonas vaginalis histone deacetylase 1, 2 ,3, putative Get druggable targets OG5_126742 All targets in OG5_126742
Trypanosoma congolense histone deacetylase 4 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
Trichomonas vaginalis histone deacetylase, putative Get druggable targets OG5_126742 All targets in OG5_126742
Plasmodium vivax histone deacetylase, putative 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
Toxoplasma gondii histone deacetylase HDAC1 Get druggable targets OG5_126654 All targets in OG5_126654
Schistosoma japonicum ko:K01463 Hdac3 [EC:3.5.1.-], putative Get druggable targets OG5_126742 All targets in OG5_126742
Toxoplasma gondii histone deacetylase HDAC2 Get druggable targets OG5_126742 All targets in OG5_126742
Trypanosoma cruzi histone deacetylase 1, putative Get druggable targets OG5_126742 All targets in OG5_126742
Trypanosoma brucei gambiense histone deacetylase 1,histone deacetylase-like 1 protein, putative Get druggable targets OG5_126742 All targets in OG5_126742
Babesia bovis histone deacetylase, putative Get druggable targets OG5_126654 All targets in OG5_126654
Leishmania braziliensis histone deacetylase, putative Get druggable targets OG5_126742 All targets in OG5_126742
Loa Loa (eye worm) histone deacetylase 7A 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
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 yoelii histone deacetylase Get druggable targets OG5_126742 All targets in OG5_126742
Trypanosoma congolense 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
Leishmania major histone deacetylase, putative Get druggable targets OG5_126654 All targets in OG5_126654
Trichomonas vaginalis histone deacetylase, putative Get druggable targets OG5_126742 All targets in OG5_126742
Leishmania donovani histone deacetylase, 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
Giardia lamblia Histone deacetylase Get druggable targets OG5_126742 All targets in OG5_126742
Schistosoma mansoni histone deacetylase Get druggable targets OG5_126742 All targets in OG5_126742
By sequence similarity to non orthologous known druggable targets
Species Potential target Known druggable target Length Alignment span Identity
Trypanosoma cruzi histone deacetylase, putative histone deacetylase 3 428 aa 374 aa 30.5 %
Trypanosoma brucei histone deacetylase 2 histone deacetylase 2 488 aa 427 aa 29.0 %
Plasmodium falciparum histone deacetylase 1 histone deacetylase 8 286 aa 241 aa 44.8 %
Obtained from network model

Ranking Plot

Putative Targets List

Species Potential target Raw Global Species
Echinococcus multilocularis histone deacetylase 6 0.0333 0.6556 0.8703
Loa Loa (eye worm) hypothetical protein 0.0146 0.2618 0.3971
Loa Loa (eye worm) TAR-binding protein 0.0071 0.1026 0.1533
Echinococcus granulosus beta LACTamase domain containing family member 0.0078 0.1178 0.1564
Echinococcus granulosus histone deacetylase 6 0.0333 0.6556 0.8703
Echinococcus granulosus guanine nucleotide binding protein Gs subunit 0.0047 0.0536 0.0711
Schistosoma mansoni hypothetical protein 0.0037 0.033 0.0438
Schistosoma mansoni histone deacetylase 0.0311 0.6088 0.8082
Brugia malayi histone deacetylase 1 (HD1) 0.0311 0.6088 0.9272
Loa Loa (eye worm) hypothetical protein 0.0187 0.3479 0.5288
Trypanosoma cruzi histone deacetylase, putative 0.0146 0.2618 0.2678
Plasmodium vivax histone deacetylase, putative 0.0333 0.6556 1
Trypanosoma cruzi histone deacetylase, putative 0.0333 0.6556 1
Echinococcus multilocularis histone deacetylase 6 0.0333 0.6556 0.8703
Echinococcus multilocularis bromodomain adjacent to zinc finger domain 0.004 0.0383 0.0509
Entamoeba histolytica histone deacetylase, putative 0.0311 0.6088 0.5
Trichomonas vaginalis histone deacetylase, putative 0.0311 0.6088 1
Brugia malayi RNA binding protein 0.0071 0.1026 0.1401
Trichomonas vaginalis histone deacetylase, putative 0.0311 0.6088 1
Loa Loa (eye worm) hypothetical protein 0.0043 0.0441 0.0637
Brugia malayi MH2 domain containing protein 0.0268 0.5172 0.7848
Loa Loa (eye worm) hypothetical protein 0.0045 0.0496 0.0722
Echinococcus granulosus histone deacetylase 7 0.0333 0.6556 0.8703
Loa Loa (eye worm) hypothetical protein 0.0078 0.1178 0.1766
Echinococcus multilocularis guanine nucleotide binding protein G(s) subunit 0.0047 0.0536 0.0711
Schistosoma mansoni histone deacetylase 4 5 0.0333 0.6556 0.8703
Loa Loa (eye worm) hypothetical protein 0.0078 0.1178 0.1766
Echinococcus granulosus histone deacetylase 8 0.0146 0.2618 0.3476
Plasmodium vivax histone deacetylase 1, putative 0.0311 0.6088 0.913
Plasmodium falciparum histone deacetylase 2 0.0333 0.6556 1
Schistosoma mansoni histone deacetylase hda2 0.0341 0.6713 0.8911
Trypanosoma brucei histone deacetylase 1 0.0311 0.6088 0.913
Echinococcus granulosus geminin 0.038 0.7533 1
Loa Loa (eye worm) hypothetical protein 0.0078 0.1178 0.1766
Trichomonas vaginalis histone deacetylase, putative 0.0311 0.6088 1
Echinococcus granulosus calcium activated potassium channel variant 0.0042 0.0428 0.0568
Echinococcus multilocularis fetal alzheimer antigen, falz 0.0025 0.007 0.0092
Brugia malayi Calcitonin receptor-like protein seb-1 0.0055 0.0696 0.0887
Schistosoma mansoni histone deacetylase 0.0311 0.6088 0.8082
Echinococcus multilocularis potassium large conductance calcium activated 0.0045 0.0494 0.0656
Trypanosoma brucei histone deacetylase 2 0.0146 0.2618 0.2678
Mycobacterium ulcerans beta-lactamase 0.0078 0.1178 0.5
Echinococcus multilocularis histone deacetylase 1 0.0311 0.6088 0.8082
Loa Loa (eye worm) large conductance calcium-activated potassium channel alpha subunit ai 0.0042 0.0428 0.0617
Brugia malayi Bromodomain containing protein 0.0084 0.1299 0.1826
Brugia malayi Hypothetical 52.5 kDa protein ZK945.1 in chromosome II, putative 0.0078 0.1178 0.1638
Echinococcus granulosus histone deacetylase 3 0.0311 0.6088 0.8082
Leishmania major histone deacetylase, putative 0.0311 0.6088 0.913
Schistosoma mansoni tar DNA-binding protein 0.0071 0.1026 0.1362
Brugia malayi beta-lactamase family protein 0.0078 0.1178 0.1638
Echinococcus granulosus potassium large conductance calcium activated 0.0045 0.0494 0.0656
Brugia malayi GTP-binding regulatory protein Gs alpha-S chain, putative 0.0047 0.0536 0.0639
Trypanosoma cruzi histone deacetylase, putative 0.0146 0.2618 0.2678
Mycobacterium leprae conserved hypothetical protein 0.0078 0.1178 0.5
Schistosoma mansoni hypothetical protein 0.0023 0.0025 0.0033
Loa Loa (eye worm) RNA binding protein 0.0071 0.1026 0.1533
Brugia malayi histone deacetylase 3 (HD3) 0.0311 0.6088 0.9272
Loa Loa (eye worm) hypothetical protein 0.0078 0.1178 0.1766
Mycobacterium ulcerans esterase/lipase LipP 0.0078 0.1178 0.5
Plasmodium falciparum histone deacetylase, putative 0.0333 0.6556 1
Loa Loa (eye worm) hypothetical protein 0.0037 0.033 0.0468
Echinococcus multilocularis bromodomain adjacent to zinc finger domain 0.0066 0.0941 0.1249
Echinococcus granulosus bromodomain adjacent to zinc finger domain 0.004 0.0383 0.0509
Trypanosoma cruzi histone deacetylase, putative 0.0333 0.6556 1
Trichomonas vaginalis histone deacetylase 1, 2 ,3, putative 0.0311 0.6088 1
Echinococcus granulosus calcium activated potassium channel 0.0045 0.0494 0.0656
Brugia malayi beta-lactamase 0.0078 0.1178 0.1638
Schistosoma mansoni histone deacetylase hda2 0.0146 0.2618 0.3476
Plasmodium vivax histone deacetylase, putative 0.0146 0.2618 0.2678
Trichomonas vaginalis histone deacetylase, putative 0.0311 0.6088 1
Loa Loa (eye worm) MH2 domain-containing protein 0.0268 0.5172 0.7881
Mycobacterium ulcerans hypothetical protein 0.0078 0.1178 0.5
Trichomonas vaginalis histone deacetylase 1, 2 ,3, putative 0.0311 0.6088 1
Trypanosoma cruzi histone deacetylase 1, putative 0.0311 0.6088 0.913
Trypanosoma brucei histone deacetylase, putative 0.0333 0.6556 1
Echinococcus multilocularis geminin 0.038 0.7533 1
Trichomonas vaginalis histone deacetylase, putative 0.0311 0.6088 1
Schistosoma mansoni family S12 unassigned peptidase (S12 family) 0.0078 0.1178 0.1564
Echinococcus granulosus histone deacetylase 1 0.0311 0.6088 0.8082
Plasmodium vivax histone deacetylase 2, putative 0.0333 0.6556 1
Loa Loa (eye worm) beta-LACTamase domain containing family member 0.0078 0.1178 0.1766
Mycobacterium leprae Probable lipase LipE 0.0078 0.1178 0.5
Leishmania major histone deacetylase, putative 0.0311 0.6088 0.913
Brugia malayi latrophilin 2 splice variant baaae 0.0037 0.033 0.0319
Loa Loa (eye worm) transcription factor SMAD2 0.0268 0.5172 0.7881
Loa Loa (eye worm) hypothetical protein 0.0195 0.3635 0.5529
Schistosoma mansoni hypothetical protein 0.038 0.7533 1
Schistosoma mansoni Guanine nucleotide-binding protein G(s) subunit alpha (Adenylate cyclase-stimulating G alpha protein) 0.0047 0.0536 0.0711
Echinococcus multilocularis histone deacetylase 6 0.0341 0.6713 0.8911
Schistosoma mansoni histone deacetylase 4 5 0.0333 0.6556 0.8703
Echinococcus multilocularis histone deacetylase 3 0.0311 0.6088 0.8082
Toxoplasma gondii histone deacetylase HDAC1 0.0333 0.6556 1
Echinococcus granulosus bromodomain adjacent to zinc finger domain 0.0066 0.0941 0.1249
Loa Loa (eye worm) MaxiK calcium-activated potassium channel 0.003 0.0174 0.0229
Loa Loa (eye worm) histone deacetylase 1 0.0311 0.6088 0.9283
Echinococcus multilocularis histone deacetylase 0.0333 0.6556 0.8703
Schistosoma mansoni family S12 unassigned peptidase (S12 family) 0.0078 0.1178 0.1564
Toxoplasma gondii histone deacetylase HDAC5 0.0146 0.2618 0.2678
Loa Loa (eye worm) pigment dispersing factor receptor c 0.0055 0.0696 0.1027
Trypanosoma cruzi histone deacetylase 1, putative 0.0311 0.6088 0.913
Brugia malayi Histone deacetylase 1 0.0311 0.6088 0.9272
Toxoplasma gondii histone deacetylase HDAC4 0.0146 0.2618 0.2678
Schistosoma mansoni histone deacetylase 1 2 3 0.0146 0.2618 0.3476
Leishmania major histone deacetylase, putative 0.0333 0.6556 1
Loa Loa (eye worm) hypothetical protein 0.0055 0.0696 0.1027
Schistosoma mansoni calcium-activated potassium channel 0.0045 0.0494 0.0656
Schistosoma mansoni tar DNA-binding protein 0.0071 0.1026 0.1362
Brugia malayi Corticotropin releasing factor receptor 2 precursor, putative 0.0055 0.0696 0.0887
Loa Loa (eye worm) hypothetical protein 0.0078 0.1178 0.1766
Mycobacterium ulcerans lipase LipD 0.0078 0.1178 0.5
Schistosoma mansoni tar DNA-binding protein 0.0071 0.1026 0.1362
Echinococcus multilocularis calcium activated potassium channel variant 0.0042 0.0428 0.0568
Schistosoma mansoni acetyl-CoA C-acetyltransferase 0.0025 0.007 0.0092
Trypanosoma brucei histone deacetylase 4 0.0333 0.6556 1
Brugia malayi Large-conductance calcium-activated potassium channel Slo-1 (KCNMA) alpha subunit. C. elegans slo-1 ortholog 0.003 0.0174 0.0076
Trypanosoma cruzi histone deacetylase, putative 0.0333 0.6556 1
Echinococcus multilocularis histone deacetylase 7 0.0333 0.6556 0.8703
Echinococcus granulosus fetal alzheimer antigen falz 0.0025 0.007 0.0092
Echinococcus multilocularis beta LACTamase domain containing family member 0.0078 0.1178 0.1564
Loa Loa (eye worm) histone deacetylase 11 0.0146 0.2618 0.3971
Leishmania major histone deacetylase, putative 0.0333 0.6556 1
Echinococcus granulosus histone deacetylase 6 0.0333 0.6556 0.8703
Schistosoma mansoni calcium-activated potassium channel 0.0042 0.0428 0.0568
Echinococcus granulosus histone deacetylase 0.0333 0.6556 0.8703
Echinococcus granulosus histone deacetylase 6 0.0341 0.6713 0.8911
Loa Loa (eye worm) hypothetical protein 0.0079 0.1199 0.1798
Echinococcus multilocularis histone deacetylase 8 0.0146 0.2618 0.3476
Echinococcus multilocularis calcium activated potassium channel 0.0045 0.0494 0.0656
Giardia lamblia Histone deacetylase 0.0311 0.6088 0.5
Loa Loa (eye worm) hypothetical protein 0.0311 0.6088 0.9283
Loa Loa (eye worm) beta-lactamase 0.0078 0.1178 0.1766
Trichomonas vaginalis histone deacetylase 1, 2 ,3, putative 0.0311 0.6088 1
Brugia malayi TAR-binding protein 0.0071 0.1026 0.1401
Schistosoma mansoni Guanine nucleotide-binding protein G(s) subunit alpha (Adenylate cyclase-stimulating G alpha protein) 0.0047 0.0536 0.0711
Echinococcus granulosus guanine nucleotide binding protein Gs subunit 0.0047 0.0536 0.0711
Echinococcus granulosus tar DNA binding protein 0.0071 0.1026 0.1362
Schistosoma mansoni hypothetical protein 0.038 0.7533 1
Schistosoma mansoni bromodomain containing protein 0.007 0.1024 0.136
Schistosoma mansoni tar DNA-binding protein 0.0071 0.1026 0.1362
Brugia malayi Histone deacetylase family protein 0.0333 0.6556 1
Loa Loa (eye worm) histone deacetylase 3 0.0311 0.6088 0.9283
Echinococcus multilocularis tar DNA binding protein 0.0071 0.1026 0.1362
Brugia malayi beta-lactamase family protein 0.0078 0.1178 0.1638
Loa Loa (eye worm) histone deacetylase 7A 0.0333 0.6556 1
Schistosoma mansoni Guanine nucleotide-binding protein G(s) subunit alpha (Adenylate cyclase-stimulating G alpha protein) 0.0047 0.0536 0.0711
Loa Loa (eye worm) hypothetical protein 0.003 0.0174 0.0229
Trichomonas vaginalis histone deacetylase, putative 0.0311 0.6088 1
Loa Loa (eye worm) histone deacetylase 0.0333 0.6556 1
Brugia malayi RNA recognition motif domain containing protein 0.0071 0.1026 0.1401
Loa Loa (eye worm) RNA recognition domain-containing protein domain-containing protein 0.0071 0.1026 0.1533
Brugia malayi Bromodomain containing protein 0.0043 0.0439 0.0488
Loa Loa (eye worm) hypothetical protein 0.0047 0.0541 0.079
Echinococcus multilocularis guanine nucleotide binding protein G(s) subunit 0.0047 0.0536 0.0711
Loa Loa (eye worm) GTP-binding regulatory protein Gs alpha-S chain 0.0047 0.0536 0.0782
Toxoplasma gondii histone deacetylase HDAC2 0.0311 0.6088 0.913
Toxoplasma gondii histone deacetylase HDAC3 0.0311 0.6088 0.913
Onchocerca volvulus Histone deacetylase 10 homolog 0.0146 0.2618 1
Brugia malayi histone deacetylase 11 0.0146 0.2618 0.3877
Loa Loa (eye worm) hypothetical protein 0.0078 0.1178 0.1766
Mycobacterium ulcerans fusion of enoyl-CoA hydratase, EchA21 and lipase, LipE 0.0078 0.1178 0.5
Trypanosoma brucei histone deacetylase 3 0.0333 0.6556 1
Schistosoma mansoni tar DNA-binding protein 0.0071 0.1026 0.1362
Brugia malayi Histone deacetylase family protein 0.0333 0.6556 1

Activities

Activity type Activity value Assay description Source Reference
IC50 (binding) = 0.025 uM Inhibition of nuclear HDAC isolated from human HeLa cells ChEMBL. 18558669
IC50 (binding) = 0.979 uM Inhibition of recombinant HDAC6 expressed in HEK293 cells ChEMBL. 18558669
IC50 (binding) = 1.74 uM Inhibition of HDAC in human HeLa cells ChEMBL. 18558669
IC50 (binding) = 2.49 uM Inhibition of recombinant HDAC1 expressed in HEK293 cells ChEMBL. 18558669
IC50 (functional) = 10.4 uM Cytotoxicity against human HeLa cells after 72 hrs by alamar blue assay ChEMBL. 18558669

Phenotypes

Whole-cell/tissue/organism interactions

Species name Source Reference Is orphan
Homo sapiens ChEMBL23 18558669

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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