Detailed information for compound 810395

Basic information

Technical information
  • TDR Targets ID: 810395
  • Name: ZINC02921198
  • MW: 252.356 | Formula: C11H12N2OS2
  • H donors: 0 H acceptors: 1 LogP: 2.52 Rotable bonds: 1
    Rule of 5 violations (Lipinski): 1
  • SMILES: CSc1nc2sc3c(c2c(=O)n1C)CCC3
  • InChi: 1S/C11H12N2OS2/c1-13-10(14)8-6-4-3-5-7(6)16-9(8)12-11(13)15-2/h3-5H2,1-2H3
  • InChiKey: PRYMFCHVARKIRQ-UHFFFAOYSA-N  


Substructure search Similarity search

Network

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Synonyms

  • EU-0008531
  • CBMicro_017095
  • BAS 00700472
  • 5-Methyl-6-methylsulfanyl-1,2,3,5-tetrahydro-8-thia-5,7-diaza-cyclopenta[a]inden-4-one
  • MLS001210066
  • SMR000515084
  • STOCK1S-23660
  • BIM-0017019.P001
  • AJ-292/36790008

Targets

Known targets for this compound

Species Target name Source Bibliographic reference
Homo sapiens K(lysine) acetyltransferase 2A Starlite/ChEMBL No references
Homo sapiens ataxin 2 Starlite/ChEMBL No references

Predicted pathogen targets for this compound

By orthology
Species Potential target Known druggable target/s Ortholog Group
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
Cryptosporidium parvum GCN5 like acetylase + bromodomain Get druggable targets OG5_127781 All targets in OG5_127781
Brugia malayi acetyltransferase, GNAT family protein Get druggable targets OG5_127781 All targets in OG5_127781
Neospora caninum hypothetical 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
Schistosoma mansoni gcn5proteinral control of amino-acid synthesis 5-like 2 gcnl2 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
Giardia lamblia Histone acetyltransferase GCN5 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
Toxoplasma gondii histone lysine acetyltransferase GCN5-A Get druggable targets OG5_127781 All targets in OG5_127781
Loa Loa (eye worm) acetyltransferase 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
Toxoplasma gondii histone lysine acetyltransferase GCN5-B Get druggable targets OG5_127781 All targets in OG5_127781
Cryptosporidium hominis histone acetyltransferase 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
Plasmodium yoelii histone acetyltransferase GCN5-related 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
Candida albicans bromodomain protein similar to S. cerevisiae GCN5 (YGR252W) histone acetyltransferase Get druggable targets OG5_127781 All targets in OG5_127781
Babesia bovis 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
Neospora caninum Bromodomain containing protein, related 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
Plasmodium falciparum histone acetyltransferase GCN5 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
Theileria parva histone acetyltransferase Gcn5, putative Get druggable targets OG5_127781 All targets in OG5_127781
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
Plasmodium vivax histone acetyltransferase GCN5, putative 0.0051 0.1252 0.064
Loa Loa (eye worm) AUR protein kinase 0.0359 1 1
Trichomonas vaginalis CMGC family protein kinase 0.0325 0.9021 0.8881
Echinococcus multilocularis Ataxin 2, N terminal,domain containing protein 0.0014 0.0177 0.0177
Trypanosoma cruzi mitogen-activated protein kinase 11, putative 0.0325 0.9021 0.9021
Trypanosoma cruzi PAB1-binding protein , putative 0.003 0.0654 0.0654
Entamoeba histolytica acetyltransferase, GNAT family 0.0047 0.113 0.113
Entamoeba histolytica protein kinase domain containing protein 0.0359 1 1
Trichomonas vaginalis CMGC family protein kinase 0.0325 0.9021 0.8881
Trichomonas vaginalis AGC family protein kinase 0.0359 1 1
Trypanosoma brucei protein kinase, putative 0.0325 0.9021 0.9021
Giardia lamblia Kinase, CMGC MAPK 0.0325 0.9021 0.8896
Trichomonas vaginalis AGC family protein kinase 0.0359 1 1
Leishmania major mitogen activated protein kinase 4, putative;with=GeneDB:LmxM19.1440 0.0325 0.9021 0.9021
Echinococcus granulosus histone acetyltransferase KAT2B 0.0051 0.1252 0.1252
Leishmania major hypothetical protein, conserved 0.003 0.0654 0.0654
Entamoeba histolytica protein kinase domain containing protein 0.017 0.4615 0.4615
Brugia malayi serine/threonine kinase 12 0.0359 1 1
Echinococcus granulosus Ataxin 2 N terminaldomain containing protein 0.0014 0.0177 0.0177
Loa Loa (eye worm) CMGC/MAPK/ERK1 protein kinase 0.0325 0.9021 0.8953
Trichomonas vaginalis CMGC family protein kinase 0.0325 0.9021 0.8881
Toxoplasma gondii histone lysine acetyltransferase GCN5-A 0.0051 0.1252 0.1252
Toxoplasma gondii CMGC kinase, MAPK family (ERK) MAPK-1 0.0325 0.9021 0.9021
Trichomonas vaginalis CMGC family protein kinase 0.0325 0.9021 0.8881
Trypanosoma cruzi mitogen activated protein kinase 2, putative 0.0325 0.9021 0.9021
Schistosoma mansoni hypothetical protein 0.0014 0.0177 0.0177
Echinococcus multilocularis gcn5proteinral control of amino acid synthesis 0.0175 0.4763 0.4763
Echinococcus granulosus aurora kinase A 0.0359 1 1
Echinococcus multilocularis mitogen activated protein kinase 3 0.0325 0.9021 0.9021
Echinococcus granulosus homeodomain interacting protein kinase 3 0.017 0.4615 0.4615
Entamoeba histolytica protein kinase, putative 0.0359 1 1
Toxoplasma gondii LsmAD domain-containing protein 0.003 0.0654 0.0654
Entamoeba histolytica serine/threonine- protein kinase 6, putative 0.0359 1 1
Schistosoma mansoni protein kinase 0.0359 1 1
Trichomonas vaginalis AGC family protein kinase 0.0359 1 1
Loa Loa (eye worm) AUR protein kinase 0.0359 1 1
Echinococcus multilocularis serine:threonine protein kinase 12 B 0.0359 1 1
Brugia malayi Homeodomain interacting protein kinase protein 1 0.017 0.4615 0.4422
Trypanosoma cruzi aurora B kinase, putative 0.0359 1 1
Toxoplasma gondii aurora kinase 0.0359 1 1
Brugia malayi hypothetical protein 0.003 0.0654 0.0318
Trypanosoma cruzi mitogen-activated protein kinase 11, putative 0.0325 0.9021 0.9021
Schistosoma mansoni gcn5proteinral control of amino-acid synthesis 5-like 2 gcnl2 0.0175 0.4763 0.4763
Loa Loa (eye worm) acetyltransferase 0.0175 0.4763 0.4397
Schistosoma mansoni serine/threonine protein kinase 0.0359 1 1
Loa Loa (eye worm) CMGC/DYRK/HIPK protein kinase 0.017 0.4615 0.4239
Entamoeba histolytica serine/threonine protein kinase 6, putative 0.0359 1 1
Entamoeba histolytica protein kinase , putative 0.0359 1 1
Plasmodium falciparum histone acetyltransferase GCN5 0.0047 0.113 0.113
Schistosoma mansoni serine/threonine protein kinase 0.0325 0.9021 0.9021
Echinococcus granulosus mitogen activated protein kinase 3 0.0325 0.9021 0.9021
Giardia lamblia Aurora kinase 0.0359 1 1
Echinococcus multilocularis aurora kinase A 0.0359 1 1
Trypanosoma brucei aurora B kinase 0.0359 1 1
Leishmania major mitogen activated protein kinase, putative,map kinase, putative 0.0325 0.9021 0.9021
Trypanosoma cruzi mitogen activated protein kinase 4, putative 0.0325 0.9021 0.9021
Entamoeba histolytica serine/threonine- protein kinase 6 , putative 0.0359 1 1
Trypanosoma brucei mitogen activated protein kinase 4, putative 0.0325 0.9021 0.9021
Plasmodium vivax serine/threonine protein kinase 6, putative 0.0359 1 1
Plasmodium falciparum serine/threonine protein kinase, putative 0.0359 1 1
Echinococcus multilocularis mitogen activated protein kinase 0.0325 0.9021 0.9021
Leishmania major protein kinase, putative 0.0359 1 1
Brugia malayi acetyltransferase, GNAT family protein 0.0175 0.4763 0.4575
Echinococcus granulosus histone acetyltransferase KAT2B 0.017 0.4624 0.4624
Toxoplasma gondii histone lysine acetyltransferase GCN5-B 0.0051 0.1252 0.1252
Entamoeba histolytica protein kinase, putative 0.0359 1 1
Echinococcus granulosus serine:threonine protein kinase 12 B 0.0359 1 1
Loa Loa (eye worm) AUR protein kinase 0.0359 1 1
Brugia malayi MAP kinase sur-1 0.0325 0.9021 0.8986
Plasmodium falciparum ataxin-2 like protein, putative 0.003 0.0654 0.0654
Trichomonas vaginalis AGC family protein kinase 0.0359 1 1
Brugia malayi serine/threonine-protein kinase 6 0.0359 1 1
Plasmodium falciparum ataxin-2 like protein, putative 0.003 0.0654 0.0654
Trypanosoma brucei PAB1-binding protein , putative 0.003 0.0654 0.0654
Echinococcus multilocularis homeodomain interacting protein kinase 3 0.017 0.4615 0.4615
Echinococcus granulosus mitogen activated protein kinase 0.0325 0.9021 0.9021
Schistosoma mansoni serine/threonine protein kinase 0.017 0.4615 0.4615
Trypanosoma cruzi PAB1-binding protein , putative 0.003 0.0654 0.0654

Activities

Activity type Activity value Assay description Source Reference
Potency (functional) 0.1889 uM PubChem BioAssay. qHTS for Inhibitors of ATXN expression. (Class of assay: confirmatory) ChEMBL. No reference
Potency (functional) 1.8526 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) 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) 35.4813 uM PUBCHEM_BIOASSAY: qHTS for Inhibitors of TGF-b: Cytotox Counterscreen. (Class of assay: confirmatory) [Related pubchem assays (depositor defined):AID588855, AID588860] ChEMBL. No reference
Potency (functional) 100 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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