Detailed information for compound 1351497

Basic information

Technical information
  • TDR Targets ID: 1351497
  • Name: SR-01000630944-1
  • MW: 278.35 | Formula: C12H10N2O2S2
  • H donors: 2 H acceptors: 3 LogP: 1.99 Rotable bonds: 2
    Rule of 5 violations (Lipinski): 1
  • SMILES: CSC1=C(C#N)C(=O)NC(S1)c1ccccc1O
  • InChi: 1S/C12H10N2O2S2/c1-17-12-8(6-13)10(16)14-11(18-12)7-4-2-3-5-9(7)15/h2-5,11,15H,1H3,(H,14,16)
  • InChiKey: BMYPWEVZWIEMRP-UHFFFAOYSA-N  


Substructure search Similarity search

Network

Hover on a compound node to display the structore

Synonyms

  • Maybridge3_000731
  • 2-(2-hydroxyphenyl)-6-(methylthio)-4-oxo-3,4-dihydro-2H-1,3-thiazine-5-carbonitrile
  • MLS000849880
  • SMR000455898
  • CD 04067
  • IDI1_012118

Targets

Known targets for this compound

Species Target name Source Bibliographic reference
Homo sapiens polo-like kinase 1 Starlite/ChEMBL No references
Homo sapiens lysine (K)-specific methyltransferase 2A Starlite/ChEMBL No references

Predicted pathogen targets for this compound

By orthology
Species Potential target Known druggable target/s Ortholog Group
Candida albicans protein serine/threonine kinase Get druggable targets OG5_127396 All targets in OG5_127396
Trypanosoma brucei gambiense polo-like protein kinase,protein kinase Get druggable targets OG5_127396 All targets in OG5_127396
Onchocerca volvulus Serine\/threonine kinase homolog Get druggable targets OG5_127396 All targets in OG5_127396
Leishmania braziliensis protein kinase, putative,polo-like protein kinase, putative Get druggable targets OG5_127396 All targets in OG5_127396
Trypanosoma congolense protein kinase, putative Get druggable targets OG5_127396 All targets in OG5_127396
Schistosoma japonicum ko:K06631 polo-like kinase 1, putative Get druggable targets OG5_127396 All targets in OG5_127396
Schistosoma japonicum ko:K09188 myeloid/lymphoid or mixed-lineage leukemia protein 3, putative Get druggable targets OG5_130642 All targets in OG5_130642
Loa Loa (eye worm) PLK/PLK1 protein kinase Get druggable targets OG5_127396 All targets in OG5_127396
Trichomonas vaginalis CAMK family protein kinase Get druggable targets OG5_127396 All targets in OG5_127396
Schistosoma japonicum Serine/threonine-protein kinase PLK1, putative Get druggable targets OG5_127396 All targets in OG5_127396
Leishmania major protein kinase, putative,polo-like protein kinase, putative Get druggable targets OG5_127396 All targets in OG5_127396
Toxoplasma gondii histone lysine methyltransferase SET1 Get druggable targets OG5_130642 All targets in OG5_130642
Trypanosoma cruzi polo-like protein kinase, putative Get druggable targets OG5_127396 All targets in OG5_127396
Echinococcus granulosus serine:threonine protein kinase PLK1 Get druggable targets OG5_127396 All targets in OG5_127396
Trichomonas vaginalis CAMK family protein kinase Get druggable targets OG5_127396 All targets in OG5_127396
Trichomonas vaginalis CAMK family protein kinase Get druggable targets OG5_127396 All targets in OG5_127396
Trichomonas vaginalis CAMK family protein kinase Get druggable targets OG5_127396 All targets in OG5_127396
Schistosoma mansoni mixed-lineage leukemia protein mll Get druggable targets OG5_130642 All targets in OG5_130642
Entamoeba histolytica serine/threonine protein kinase, putative Get druggable targets OG5_127396 All targets in OG5_127396
Brugia malayi serine/threonine-protein kinase plk-2 Get druggable targets OG5_127396 All targets in OG5_127396
Schistosoma mansoni serine/threonine protein kinase Get druggable targets OG5_127396 All targets in OG5_127396
Trypanosoma brucei polo-like protein kinase Get druggable targets OG5_127396 All targets in OG5_127396
Neospora caninum Multidomain chromatinic protein with the following architecture: 3x PHD-bromo-3xPHD-SET domain and associated cysteine cluster a Get druggable targets OG5_130642 All targets in OG5_130642
Trichomonas vaginalis CAMK family protein kinase Get druggable targets OG5_127396 All targets in OG5_127396
Giardia lamblia Kinase, PLK Get druggable targets OG5_127396 All targets in OG5_127396
Leishmania infantum protein kinase, putative,polo-like protein kinase, putative Get druggable targets OG5_127396 All targets in OG5_127396
Echinococcus multilocularis serine:threonine protein kinase PLK1 Get druggable targets OG5_127396 All targets in OG5_127396
Trichomonas vaginalis CAMK family protein kinase Get druggable targets OG5_127396 All targets in OG5_127396
Candida albicans protein serine/threonine kinase Get druggable targets OG5_127396 All targets in OG5_127396
Leishmania mexicana protein kinase, putative,polo-like protein kinase, putative Get druggable targets OG5_127396 All targets in OG5_127396
Trichomonas vaginalis CAMK family protein kinase Get druggable targets OG5_127396 All targets in OG5_127396
Trichomonas vaginalis CAMK family protein kinase Get druggable targets OG5_127396 All targets in OG5_127396
Trypanosoma cruzi polo-like protein kinase, putative Get druggable targets OG5_127396 All targets in OG5_127396
Trichomonas vaginalis CAMK family protein kinase Get druggable targets OG5_127396 All targets in OG5_127396
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
Trichomonas vaginalis CAMK family protein kinase 0.0346 1 1
Schistosoma mansoni cpg binding protein 0.0037 0.095 0.093
Trichomonas vaginalis CAMK family protein kinase 0.0346 1 1
Trichomonas vaginalis conserved hypothetical protein 0.0008 0.0107 0.0107
Toxoplasma gondii histone lysine methyltransferase SET1 0.0066 0.1801 0.5
Trichomonas vaginalis chromodomain helicase DNA binding protein, putative 0.0008 0.0107 0.0107
Echinococcus multilocularis Serine:threonine protein kinase PLK4 0.011 0.3099 0.3009
Trichomonas vaginalis conserved hypothetical protein 0.0008 0.0107 0.0107
Echinococcus granulosus histone lysine N methyltransferase MLL3 0.0011 0.0191 0.0063
Trichomonas vaginalis chromodomain-helicase-DNA-binding protein, putative 0.0008 0.0107 0.0107
Echinococcus granulosus cpg binding protein 0.0037 0.095 0.0832
Schistosoma mansoni kinase 0.0308 0.8882 0.888
Trichomonas vaginalis chromodomain helicase DNA binding protein, putative 0.0008 0.0107 0.0107
Schistosoma mansoni mixed-lineage leukemia protein mll 0.0009 0.0129 0.0107
Trichomonas vaginalis conserved hypothetical protein 0.0008 0.0107 0.0107
Trichomonas vaginalis chromodomain helicase DNA binding protein, putative 0.0008 0.0107 0.0107
Trichomonas vaginalis conserved hypothetical protein 0.0008 0.0107 0.0107
Trichomonas vaginalis conserved hypothetical protein 0.0008 0.0107 0.0107
Trichomonas vaginalis CAMK family protein kinase 0.0346 1 1
Trichomonas vaginalis CAMK family protein kinase 0.0346 1 1
Echinococcus multilocularis serine:threonine protein kinase PLK1 0.0346 1 1
Brugia malayi CXXC zinc finger family protein 0.0035 0.0892 0.0719
Giardia lamblia Kinase, PLK 0.0346 1 0.5
Trichomonas vaginalis helicase, putative 0.0008 0.0107 0.0107
Schistosoma mansoni cpg binding protein 0.0037 0.095 0.093
Echinococcus multilocularis histone lysine N methyltransferase MLL3 0.0011 0.0191 0.0063
Schistosoma mansoni mixed-lineage leukemia protein mll 0.0074 0.2031 0.2013
Trichomonas vaginalis CAMK family protein kinase 0.0346 1 1
Trichomonas vaginalis chromodomain helicase DNA binding protein, putative 0.0008 0.0107 0.0107
Trichomonas vaginalis chromodomain helicase DNA binding protein, putative 0.0008 0.0107 0.0107
Trichomonas vaginalis conserved hypothetical protein 0.0008 0.0107 0.0107
Trichomonas vaginalis conserved hypothetical protein 0.0008 0.0107 0.0107
Trichomonas vaginalis CAMK family protein kinase 0.0148 0.4216 0.4216
Trichomonas vaginalis conserved hypothetical protein 0.0008 0.0107 0.0107
Entamoeba histolytica serine/threonine protein kinase, putative 0.0346 1 0.5
Trypanosoma brucei polo-like protein kinase 0.0346 1 0.5
Trypanosoma cruzi polo-like protein kinase, putative 0.0346 1 0.5
Trichomonas vaginalis chromodomain helicase DNA binding protein, putative 0.0008 0.0107 0.0107
Echinococcus multilocularis cpg binding protein 0.0037 0.095 0.0832
Trichomonas vaginalis CAMK family protein kinase 0.0148 0.4216 0.4216
Trichomonas vaginalis CAMK family protein kinase 0.0346 1 1
Loa Loa (eye worm) CXXC zinc finger family protein 0.0035 0.0892 0.0715
Schistosoma mansoni serine/threonine protein kinase 0.0346 1 1
Schistosoma mansoni cpg binding protein 0.0035 0.0892 0.0872
Echinococcus granulosus serine:threonine protein kinase PLK1 0.0346 1 1
Onchocerca volvulus Serine\/threonine kinase homolog 0.0346 1 1
Trypanosoma cruzi polo-like protein kinase, putative 0.0346 1 0.5
Echinococcus granulosus Serine:threonine protein kinase PLK4 0.011 0.3099 0.3009
Trichomonas vaginalis CAMK family protein kinase 0.0346 1 1
Leishmania major protein kinase, putative,polo-like protein kinase, putative 0.0346 1 0.5
Trichomonas vaginalis conserved hypothetical protein 0.0008 0.0107 0.0107
Loa Loa (eye worm) PLK/PLK1 protein kinase 0.0346 1 1
Trichomonas vaginalis chromodomain-helicase-DNA-binding protein, putative 0.0008 0.0107 0.0107

Activities

Activity type Activity value Assay description Source Reference
IC50 (functional) 45.16 uM PUBCHEM_BIOASSAY: Primary and Confirmatory Screening for Flavivirus Genomic Capping Enzyme Inhibition. (Class of assay: confirmatory) [Related pubchem assays (depositor defined):AID588708, AID588742] ChEMBL. No reference
Inhibition (binding) Inhibition of human GALK1 up to 50 uM ChEMBL. 21903402
Inhibition (binding) Inhibition of human galactosidase after 30 mins by Kinase-GloTM assay ChEMBL. 22125663
Potency (functional) 2.1192 uM PubChem BioAssay. qHTS for Inhibitors of PLK1-PDB (polo-like kinase 1 - polo-box domain): Primary Screen. (Class of assay: confirmatory) ChEMBL. No reference
Potency (functional) = 12.5893 um PUBCHEM_BIOASSAY: qHTS Fluorescence Polarization Assay for Inhibitors of MLL CXXC domain - DNA interaction. (Class of assay: confirmatory) [Related pubchem assays: 2698 (Summary assay.)] ChEMBL. No reference
Potency (functional) 23.9341 uM PUBCHEM_BIOASSAY: qHTS profiling assay for firefly luciferase inhibitor/activator using purified enzyme and Km concentrations of substrates (counterscreen for miR-21 project). (Class of assay: confirmatory) [Related pubchem assays (depositor defined):AID2288, AID2289, AID2598, AID411] ChEMBL. No reference
Potency (functional) 29.081 uM PUBCHEM_BIOASSAY: qHTS screen for small molecules that inhibit ELG1-dependent DNA repair in human embryonic kidney (HEK293T) cells expressing luciferase-tagged ELG1. (Class of assay: confirmatory) [Related pubchem assays (depositor defined):AID493107, AID493125] ChEMBL. No reference
Potency (functional) 31.6228 uM PUBCHEM_BIOASSAY: qHTS Assay for Inhibitors of Mammalian Selenoprotein Thioredoxin Reductase 1 (TrxR1): qHTS. (Class of assay: confirmatory) [Related pubchem assays (depositor defined):AID488771] ChEMBL. No reference
Potency (functional) = 79.4328 um PUBCHEM_BIOASSAY: qHTS Assay for Inhibitors of Bacillus subtilis Sfp phosphopantetheinyl transferase (PPTase). (Class of assay: confirmatory) ChEMBL. No reference
Potency (functional) 79.4328 uM PUBCHEM_BIOASSAY: qHTS Assay for Inhibitors of BAZ2B. (Class of assay: confirmatory) [Related pubchem assays (depositor defined):AID504391] 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

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

2 literature references were collected for this gene.

If you have references for this compound, please enter them in a user comment (below) or Contact us.