Detailed information for compound 1447575

Basic information

Technical information
  • TDR Targets ID: 1447575
  • Name: 3-(3-methylphenyl)-2,4-dihydro-[1,3]thiazolo[ 3,2-a][1,3,5]triazin-6-one
  • MW: 247.316 | Formula: C12H13N3OS
  • H donors: 0 H acceptors: 1 LogP: 2.31 Rotable bonds: 1
    Rule of 5 violations (Lipinski): 1
  • SMILES: Cc1cccc(c1)N1CN=C2N(C1)C(=O)CS2
  • InChi: 1S/C12H13N3OS/c1-9-3-2-4-10(5-9)14-7-13-12-15(8-14)11(16)6-17-12/h2-5H,6-8H2,1H3
  • InChiKey: KPKMGINCLBSLEJ-UHFFFAOYSA-N  


Substructure search Similarity search

Network

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Synonyms

  • 3-(3-methylphenyl)-2,4-dihydrothiazolo[3,2-a][1,3,5]triazin-6-one
  • MLS000769188
  • SMR000433922
  • STK009822
  • ZINC01247229
  • 3-m-Tolyl-3,4-dihydro-2H-thiazolo[3,2-a][1,3,5]triazin-6-one

Targets

Known targets for this compound

No curated genes were found associated with this compound

Predicted pathogen targets for this compound

By orthology
No druggable targets predicted by orthology data
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
Brugia malayi GTP-binding regulatory protein Gs alpha-S chain, putative 0.0105 0.2952 0.2952
Schistosoma mansoni hypothetical protein 0.0284 0.9276 0.9276
Echinococcus multilocularis Bcl 2 ous antagonist:killer 0.0284 0.9276 1
Echinococcus multilocularis gcn5proteinral control of amino acid synthesis 0.0162 0.4943 0.5329
Schistosoma mansoni Guanine nucleotide-binding protein G(s) subunit alpha (Adenylate cyclase-stimulating G alpha protein) 0.0105 0.2952 0.2952
Plasmodium falciparum histone acetyltransferase GCN5 0.0044 0.0775 1
Echinococcus granulosus histone acetyltransferase KAT2B 0.0157 0.4783 0.5156
Schistosoma mansoni glutaminase 0.0305 1 1
Schistosoma mansoni bcl-2 homologous antagonist/killer (bak) 0.0284 0.9276 0.9276
Trichomonas vaginalis bromodomain-containing protein, putative 0.0048 0.0914 0.0914
Echinococcus granulosus histone acetyltransferase KAT2B 0.0048 0.0914 0.0986
Schistosoma mansoni hypothetical protein 0.0284 0.9276 0.9276
Echinococcus granulosus guanine nucleotide binding protein Gs subunit 0.0105 0.2952 0.3182
Trypanosoma brucei apurinic/apyrimidinic endonuclease, putative 0.0022 0 0.5
Schistosoma mansoni Guanine nucleotide-binding protein G(s) subunit alpha (Adenylate cyclase-stimulating G alpha protein) 0.0105 0.2952 0.2952
Loa Loa (eye worm) apoptosis regulator protein 0.0284 0.9276 0.9276
Trypanosoma cruzi apurinic/apyrimidinic endonuclease, putative 0.0022 0 0.5
Wolbachia endosymbiont of Brugia malayi exonuclease III 0.0022 0 0.5
Treponema pallidum exodeoxyribonuclease (exoA) 0.0022 0 0.5
Toxoplasma gondii histone lysine acetyltransferase GCN5-B 0.0048 0.0914 1
Trypanosoma cruzi apurinic/apyrimidinic endonuclease 0.0022 0 0.5
Loa Loa (eye worm) hypothetical protein 0.0284 0.9276 0.9276
Schistosoma mansoni hypothetical protein 0.0284 0.9276 0.9276
Leishmania major apurinic/apyrimidinic endonuclease-redox protein 0.0022 0 0.5
Trichomonas vaginalis glutaminase, putative 0.0305 1 1
Giardia lamblia Histone acetyltransferase GCN5 0.0044 0.0775 1
Trichomonas vaginalis cat eye syndrome critical region protein 2, cscr2, putative 0.0048 0.0914 0.0914
Mycobacterium ulcerans glutaminase 0.0305 1 1
Loa Loa (eye worm) GTP-binding regulatory protein Gs alpha-S chain 0.0105 0.2952 0.2952
Echinococcus multilocularis guanine nucleotide binding protein G(s) subunit 0.0105 0.2952 0.3182
Echinococcus granulosus guanine nucleotide binding protein Gs subunit 0.0105 0.2952 0.3182
Loa Loa (eye worm) acetyltransferase 0.0162 0.4943 0.4943
Echinococcus granulosus Bcl 2 ous antagonist:killer 0.0284 0.9276 1
Loa Loa (eye worm) glutaminase 0.0305 1 1
Echinococcus granulosus EGFP:Bcl2 fusion protein 0.0284 0.9276 1
Loa Loa (eye worm) glutaminase 2 0.0305 1 1
Echinococcus multilocularis EGFP:Bcl2 fusion protein 0.0284 0.9276 1
Toxoplasma gondii histone lysine acetyltransferase GCN5-A 0.0048 0.0914 1
Schistosoma mansoni apoptosis regulator bax 0.0284 0.9276 0.9276
Schistosoma mansoni Guanine nucleotide-binding protein G(s) subunit alpha (Adenylate cyclase-stimulating G alpha protein) 0.0105 0.2952 0.2952
Entamoeba histolytica acetyltransferase, GNAT family 0.0044 0.0775 1
Brugia malayi acetyltransferase, GNAT family protein 0.0162 0.4943 0.4943
Plasmodium vivax histone acetyltransferase GCN5, putative 0.0048 0.0914 1
Echinococcus multilocularis guanine nucleotide binding protein G(s) subunit 0.0105 0.2952 0.3182
Brugia malayi Apoptosis regulator proteins, Bcl-2 family protein 0.0284 0.9276 0.9276
Mycobacterium tuberculosis Probable exodeoxyribonuclease III protein XthA (exonuclease III) (EXO III) (AP endonuclease VI) 0.0022 0 0.5
Schistosoma mansoni gcn5proteinral control of amino-acid synthesis 5-like 2 gcnl2 0.0162 0.4943 0.4943

Activities

Activity type Activity value Assay description Source Reference
Potency (functional) 0.0023 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) 10.4179 uM PUBCHEM_BIOASSAY: Primary qHTS for delayed death inhibitors of the malarial parasite plastid, 48 hour incubation. (Class of assay: confirmatory) [Related pubchem assays (depositor defined):AID488752, AID488774, AID504848, AID504850] ChEMBL. No reference
Potency (functional) = 44.6684 um PUBCHEM_BIOASSAY: qHTS Assay for the Inhibitors of Schistosoma Mansoni Peroxiredoxins. (Class of assay: confirmatory) [Related pubchem assays: 1011 (Confirmation Concentration-Response Assay for Inhibitors of the Schistosoma mansoni Redox Cascade ), 448 (Schistosoma Mansoni Peroxiredoxins (Prx2) and thioredoxin glutathione reductase (TGR) coupled assay)] ChEMBL. No reference
Potency (functional) = 89.1251 um PUBCHEM_BIOASSAY: qHTS Inhibitors of AmpC Beta-Lactamase (assay with detergent). (Class of assay: confirmatory) [Related pubchem assays: 1002 (Confirmation Concentration-Response Assay for Inhibitors of AmpC Beta-Lactamase (assay with detergent)), 585 (Promiscuous and Specific Inhibitors of AmpC Beta-Lactamase (assay without detergent) - a screen old NIH MLSMR collection), 584 (Promiscuous and Specific Inhibitors of AmpC Beta-Lactamase (assay with detergent) - a screen of the old NIH MLSMR collection), 1003 (Confirmation Cuvette-Based Assay for Inhibitors of AmpC Beta-Lactamase (assay with detergent))] 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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