Detailed information for compound 1560831

Basic information

Technical information
  • TDR Targets ID: 1560831
  • Name: 2-[3-(2-chlorophenyl)-4-oxoquinazolin-2-yl]su lfanyl-N-(1,1-dioxothiolan-3-yl)acetamide
  • MW: 463.958 | Formula: C20H18ClN3O4S2
  • H donors: 1 H acceptors: 4 LogP: 2.92 Rotable bonds: 6
    Rule of 5 violations (Lipinski): 1
  • SMILES: O=C(NC1CCS(=O)(=O)C1)CSc1nc2ccccc2c(=O)n1c1ccccc1Cl
  • InChi: 1S/C20H18ClN3O4S2/c21-15-6-2-4-8-17(15)24-19(26)14-5-1-3-7-16(14)23-20(24)29-11-18(25)22-13-9-10-30(27,28)12-13/h1-8,13H,9-12H2,(H,22,25)
  • InChiKey: HCWKVQXNIWXUAZ-UHFFFAOYSA-N  


Substructure search Similarity search

Network

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Synonyms

  • 2-[3-(2-chlorophenyl)-4-oxo-quinazolin-2-yl]sulfanyl-N-(1,1-dioxothiolan-3-yl)acetamide
  • 2-[[3-(2-chlorophenyl)-4-oxo-2-quinazolinyl]thio]-N-(1,1-dioxo-3-thiolanyl)acetamide
  • 2-[[3-(2-chlorophenyl)-4-keto-quinazolin-2-yl]thio]-N-(1,1-diketothiolan-3-yl)acetamide
  • 2-[3-(2-chlorophenyl)-4-oxo-quinazolin-2-yl]sulfanyl-N-(1,1-dioxothiolan-3-yl)ethanamide
  • T5412794

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
Plasmodium falciparum ataxin-2 like protein, putative 0.003 0.0276 1
Echinococcus granulosus Aminotransferase class III 0.0026 0 0.5
Brugia malayi Corticotropin releasing factor receptor 2 precursor, putative 0.006 0.2166 1
Brugia malayi Calcitonin receptor-like protein seb-1 0.006 0.2166 1
Leishmania major hypothetical protein, conserved 0.003 0.0276 0.5
Trichomonas vaginalis acetylornithine aminotransferase, putative 0.0184 1 0.5
Plasmodium vivax ataxin-2 like protein, putative 0.003 0.0276 1
Mycobacterium ulcerans hypothetical protein 0.0184 1 1
Echinococcus multilocularis ornithine aminotransferase 0.0026 0 0.5
Loa Loa (eye worm) pigment dispersing factor receptor c 0.006 0.2166 1
Brugia malayi latrophilin 2 splice variant baaae 0.0041 0.0956 0.4415
Brugia malayi hypothetical protein 0.003 0.0276 0.1273
Wolbachia endosymbiont of Brugia malayi acetylornithine transaminase protein 0.0026 0 0.5
Mycobacterium ulcerans adenosylmethionine-8-amino-7-oxononanoate aminotransferase 0.0184 1 1
Echinococcus granulosus ornithine aminotransferase 0.0026 0 0.5
Chlamydia trachomatis glutamate-1-semialdehyde-2,1-aminomutase 0.0026 0 0.5
Plasmodium falciparum ataxin-2 like protein, putative 0.003 0.0276 1
Toxoplasma gondii LsmAD domain-containing protein 0.003 0.0276 1
Schistosoma mansoni hypothetical protein 0.0041 0.0956 1
Mycobacterium tuberculosis Probable aminotransferase 0.0184 1 1
Mycobacterium tuberculosis Adenosylmethionine-8-amino-7-oxononanoate aminotransferase BioA 0.0184 1 1
Trypanosoma cruzi PAB1-binding protein , putative 0.003 0.0276 0.5
Loa Loa (eye worm) hypothetical protein 0.0041 0.0956 0.36
Loa Loa (eye worm) hypothetical protein 0.006 0.2166 1
Echinococcus multilocularis ornithine aminotransferase 0.0026 0 0.5
Trypanosoma cruzi PAB1-binding protein , putative 0.003 0.0276 0.5
Echinococcus multilocularis Aminotransferase class III 0.0026 0 0.5
Trypanosoma brucei PAB1-binding protein , putative 0.003 0.0276 0.5

Activities

Activity type Activity value Assay description Source Reference
Potency (functional) 10.4179 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

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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