Detailed information for compound 1311708

Basic information

Technical information
  • TDR Targets ID: 1311708
  • Name: N-(1,1-dioxothiolan-3-yl)-N-ethyl-2-[3-(2-met hoxyethyl)-4-oxoquinazolin-2-yl]sulfanylaceta mide
  • MW: 439.549 | Formula: C19H25N3O5S2
  • H donors: 0 H acceptors: 4 LogP: 1.14 Rotable bonds: 9
    Rule of 5 violations (Lipinski): 1
  • SMILES: COCCn1c(SCC(=O)N(C2CCS(=O)(=O)C2)CC)nc2c(c1=O)cccc2
  • InChi: 1S/C19H25N3O5S2/c1-3-21(14-8-11-29(25,26)13-14)17(23)12-28-19-20-16-7-5-4-6-15(16)18(24)22(19)9-10-27-2/h4-7,14H,3,8-13H2,1-2H3
  • InChiKey: WMFYYUZELVONNC-UHFFFAOYSA-N  


Substructure search Similarity search

Network

Hover on a compound node to display the structore

Synonyms

  • N-(1,1-dioxothiolan-3-yl)-N-ethyl-2-[3-(2-methoxyethyl)-4-oxo-quinazolin-2-yl]sulfanyl-acetamide
  • N-(1,1-dioxo-3-thiolanyl)-N-ethyl-2-[[3-(2-methoxyethyl)-4-oxo-2-quinazolinyl]thio]acetamide
  • N-(1,1-diketothiolan-3-yl)-N-ethyl-2-[[4-keto-3-(2-methoxyethyl)quinazolin-2-yl]thio]acetamide
  • N-(1,1-dioxothiolan-3-yl)-N-ethyl-2-[3-(2-methoxyethyl)-4-oxo-quinazolin-2-yl]sulfanyl-ethanamide
  • T5259571
  • MLS001033893
  • SMR000385806

Targets

Known targets for this compound

Species Target name Source Bibliographic reference
Homo sapiens lamin A/C Starlite/ChEMBL No references

Predicted pathogen targets for this compound

By orthology
Species Potential target Known druggable target/s Ortholog Group
Schistosoma japonicum expressed protein Get druggable targets OG5_128723 All targets in OG5_128723
Schistosoma mansoni lamin Get druggable targets OG5_128723 All targets in OG5_128723
Loa Loa (eye worm) hypothetical protein Get druggable targets OG5_128723 All targets in OG5_128723
Echinococcus multilocularis cytoplasmic intermediate filament protein Get druggable targets OG5_128723 All targets in OG5_128723
Loa Loa (eye worm) hypothetical protein Get druggable targets OG5_128723 All targets in OG5_128723
Schistosoma japonicum Intermediate filament protein ifa-1, putative Get druggable targets OG5_128723 All targets in OG5_128723
Schistosoma mansoni lamin Get druggable targets OG5_128723 All targets in OG5_128723
Loa Loa (eye worm) hypothetical protein Get druggable targets OG5_128723 All targets in OG5_128723
Brugia malayi Intermediate filament tail domain containing protein Get druggable targets OG5_128723 All targets in OG5_128723
Echinococcus multilocularis musashi Get druggable targets OG5_128723 All targets in OG5_128723
Loa Loa (eye worm) hypothetical protein Get druggable targets OG5_128723 All targets in OG5_128723
Echinococcus multilocularis lamin dm0 Get druggable targets OG5_128723 All targets in OG5_128723
Schistosoma japonicum expressed protein Get druggable targets OG5_128723 All targets in OG5_128723
Loa Loa (eye worm) intermediate filament protein Get druggable targets OG5_128723 All targets in OG5_128723
Schistosoma japonicum Lamin-C, putative Get druggable targets OG5_128723 All targets in OG5_128723
Loa Loa (eye worm) hypothetical protein Get druggable targets OG5_128723 All targets in OG5_128723
Schistosoma mansoni intermediate filament proteins Get druggable targets OG5_128723 All targets in OG5_128723
Echinococcus granulosus lamin Get druggable targets OG5_128723 All targets in OG5_128723
Schistosoma japonicum ko:K07611 lamin, putative Get druggable targets OG5_128723 All targets in OG5_128723
Loa Loa (eye worm) intermediate filament tail domain-containing protein Get druggable targets OG5_128723 All targets in OG5_128723
Echinococcus granulosus cytoplasmic intermediate filament protein Get druggable targets OG5_128723 All targets in OG5_128723
Echinococcus granulosus intermediate filament protein Get druggable targets OG5_128723 All targets in OG5_128723
Onchocerca volvulus Get druggable targets OG5_128723 All targets in OG5_128723
Echinococcus granulosus lamin dm0 Get druggable targets OG5_128723 All targets in OG5_128723
Onchocerca volvulus Get druggable targets OG5_128723 All targets in OG5_128723
Brugia malayi intermediate filament protein Get druggable targets OG5_128723 All targets in OG5_128723
Echinococcus multilocularis lamin Get druggable targets OG5_128723 All targets in OG5_128723
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
Mycobacterium tuberculosis Probable membrane bound polyketide synthase Pks6 0.0023 0.1192 0.0306
Mycobacterium tuberculosis Phenolpthiocerol synthesis type-I polyketide synthase PpsC 0.0023 0.1192 0.0306
Mycobacterium tuberculosis Polyketide synthase Pks12 0.0023 0.1192 0.0306
Mycobacterium tuberculosis Probable polyketide synthase Pks7 0.0023 0.1192 0.0306
Onchocerca volvulus 0.0033 0.3053 1
Echinococcus multilocularis lamin 0.0033 0.3053 0.2821
Loa Loa (eye worm) latrophilin receptor protein 2 0.0019 0.0324 0.0324
Echinococcus granulosus 3 oxoacyl acyl carrier protein synthase 0.0067 1 1
Brugia malayi oxidoreductase, zinc-binding dehydrogenase family protein 0.0023 0.1192 0.1192
Mycobacterium ulcerans polyketide synthase Pks9 0.0023 0.1192 0.0144
Echinococcus multilocularis DNA (apurinic or apyrimidinic site) lyase 0.0023 0.1063 0.0764
Mycobacterium tuberculosis Phenolpthiocerol synthesis type-I polyketide synthase PpsA 0.0023 0.1192 0.0306
Loa Loa (eye worm) hypothetical protein 0.006 0.8634 0.8634
Plasmodium vivax 3-oxoacyl-[acyl-carrier-protein] synthase i/ii, putative 0.0067 1 1
Mycobacterium ulcerans phenolpthiocerol synthesis type-I polyketide synthase PpsA 0.0023 0.1192 0.0144
Toxoplasma gondii 3-oxoacyl-acyl-carrier protein synthase I/II, putative 0.0067 1 1
Mycobacterium tuberculosis Probable polyketide synthase Pks15 0.0023 0.1192 0.0306
Trichomonas vaginalis ap endonuclease, putative 0.0023 0.1063 0.5
Brugia malayi Calcitonin receptor-like protein seb-1 0.006 0.8634 0.8634
Wolbachia endosymbiont of Brugia malayi 3-oxoacyl-ACP synthase 0.0067 1 1
Toxoplasma gondii type I fatty acid synthase, putative 0.0023 0.1192 0.0144
Toxoplasma gondii beta-ketoacyl synthase, N-terminal domain-containing protein 0.0023 0.1192 0.0144
Loa Loa (eye worm) hypothetical protein 0.0023 0.1192 0.1192
Echinococcus multilocularis lamin dm0 0.0033 0.3053 0.2821
Treponema pallidum exodeoxyribonuclease (exoA) 0.0023 0.1063 0.5
Mycobacterium tuberculosis 3-oxoacyl-[acyl-carrier protein] synthase 1 KasA (beta-ketoacyl-ACP synthase) (KAS I) 0.0044 0.5285 1
Toxoplasma gondii AMP-binding enzyme domain-containing protein 0.0023 0.1192 0.0144
Loa Loa (eye worm) intermediate filament tail domain-containing protein 0.0033 0.3053 0.3053
Toxoplasma gondii type I fatty acid synthase, putative 0.0023 0.1192 0.0144
Echinococcus multilocularis musashi 0.0033 0.3053 0.2821
Mycobacterium tuberculosis Probable fatty acid synthase Fas (fatty acid synthetase) 0.0023 0.1192 0.0306
Giardia lamblia Endonuclease/Exonuclease/phosphatase 0.0023 0.1063 0.5
Mycobacterium ulcerans multifunctional mycocerosic acid synthase membrane-associated Mas 0.0023 0.1192 0.0144
Loa Loa (eye worm) hypothetical protein 0.0019 0.0324 0.0324
Loa Loa (eye worm) intermediate filament protein 0.0033 0.3053 0.3053
Schistosoma mansoni 3-oxoacyl-[ACP] synthase 0.0067 1 1
Trichomonas vaginalis ap endonuclease, putative 0.0023 0.1063 0.5
Onchocerca volvulus 0.0033 0.3053 1
Mycobacterium tuberculosis Polyketide synthase Pks13 0.0023 0.1192 0.0306
Schistosoma mansoni ap endonuclease 0.0023 0.1063 0.0764
Schistosoma mansoni lamin 0.0033 0.3053 0.2821
Mycobacterium ulcerans Type I modular polyketide synthase 0.0023 0.1192 0.0144
Loa Loa (eye worm) exodeoxyribonuclease III family protein 0.0023 0.1063 0.1063
Mycobacterium ulcerans 3-oxoacyl-(acyl carrier protein) synthase II 0.0067 1 1
Mycobacterium tuberculosis Phenolpthiocerol synthesis type-I polyketide synthase PpsD 0.0023 0.1192 0.0306
Mycobacterium ulcerans Type I modular polyketide synthase 0.0023 0.1192 0.0144
Mycobacterium tuberculosis Probable polyketide synthase Pks9 0.0023 0.1192 0.0306
Loa Loa (eye worm) hypothetical protein 0.0041 0.4787 0.4787
Leishmania major beta-ketoacyl synthase family protein, putative,3-oxoacyl-acyl carrier protein synthase ii, putative 0.0067 1 1
Brugia malayi exodeoxyribonuclease III family protein 0.0023 0.1063 0.1063
Mycobacterium ulcerans phenolpthiocerol synthesis type-I polyketide synthase PpsB 0.0023 0.1192 0.0144
Mycobacterium tuberculosis Probable polyketide synthase Pks5 0.0023 0.1192 0.0306
Mycobacterium ulcerans Type I modular polyketide synthase 0.0023 0.1192 0.0144
Echinococcus multilocularis 3 oxoacyl (acyl carrier protein) synthase 0.0067 1 1
Chlamydia trachomatis 3-oxoacyl-ACP synthase 0.0067 1 0.5
Brugia malayi Beta-ketoacyl synthase, N-terminal domain containing protein 0.0023 0.1192 0.1192
Mycobacterium ulcerans phenolpthiocerol synthesis type-I polyketide synthase PpsC 0.0023 0.1192 0.0144
Brugia malayi intermediate filament protein 0.0033 0.3053 0.3053
Loa Loa (eye worm) hypothetical protein 0.0032 0.2933 0.2933
Brugia malayi Latrophilin receptor protein 2 0.0019 0.0324 0.0324
Mycobacterium leprae 3-oxoacyl-[acyl-carrier-protein] synthase 2 KasB (BETA-KETOACYL-ACP SYNTHASE) (KAS I) 0.0044 0.5285 1
Mycobacterium tuberculosis Probable multifunctional mycocerosic acid synthase membrane-associated Mas 0.0023 0.1192 0.0306
Brugia malayi Intermediate filament tail domain containing protein 0.0033 0.3053 0.3053
Mycobacterium ulcerans phenolpthiocerol synthesis type-I polyketide synthase PpsD 0.0023 0.1192 0.0144
Plasmodium falciparum 3-oxoacyl-acyl-carrier protein synthase I/II 0.0067 1 1
Mycobacterium ulcerans 3-oxoacyl-(acyl carrier protein) synthase II 0.0067 1 1
Brugia malayi calcium-independent alpha-latrotoxin receptor 2, putative 0.0019 0.0324 0.0324
Trypanosoma brucei beta-ketoacyl-ACP synthase 0.0067 1 1
Mycobacterium ulcerans polyketide synthase 0.0023 0.1192 0.0144
Mycobacterium ulcerans polyketide synthase 0.0023 0.1192 0.0144
Mycobacterium ulcerans polyketide synthase Pks13 0.0023 0.1192 0.0144
Mycobacterium leprae 3-oxoacyl-[acyl-carrier-protein] synthase 1 KasA (BETA-KETOACYL-ACP SYNTHASE) (KAS I) 0.0044 0.5285 1
Schistosoma mansoni ap endonuclease 0.0023 0.1063 0.0764
Loa Loa (eye worm) beta-ketoacyl synthase domain-containing protein 0.0067 1 1
Schistosoma mansoni lamin 0.0033 0.3053 0.2821
Mycobacterium ulcerans fatty acid synthase Fas 0.0023 0.1192 0.0144
Echinococcus granulosus intermediate filament protein 0.0033 0.3053 0.2821
Trypanosoma cruzi beta-ketoacyl synthase family protein, putative 0.0067 1 1
Mycobacterium ulcerans polyketide synthase MbtC 0.0023 0.1192 0.0144
Mycobacterium tuberculosis Polyketide synthetase MbtC (polyketide synthase) 0.0023 0.1192 0.0306
Loa Loa (eye worm) hypothetical protein 0.0023 0.1192 0.1192
Echinococcus granulosus lamin dm0 0.0033 0.3053 0.2821
Mycobacterium tuberculosis Polyketide synthase Pks2 0.0023 0.1192 0.0306
Brugia malayi latrophilin 2 splice variant baaae 0.0041 0.4787 0.4787
Mycobacterium tuberculosis 3-oxoacyl-[acyl-carrier protein] synthase 2 KasB (beta-ketoacyl-ACP synthase) (KAS I) 0.0044 0.5285 1
Echinococcus granulosus DNA apurinic or apyrimidinic site lyase 0.0023 0.1063 0.0764
Mycobacterium ulcerans phenolpthiocerol synthesis type-I polyketide synthase PpsE 0.0023 0.1192 0.0144
Entamoeba histolytica exodeoxyribonuclease III, putative 0.0023 0.1063 0.5
Mycobacterium tuberculosis Probable polyketide synthase Pks8 0.0023 0.1192 0.0306
Brugia malayi Corticotropin releasing factor receptor 2 precursor, putative 0.006 0.8634 0.8634
Loa Loa (eye worm) pigment dispersing factor receptor c 0.006 0.8634 0.8634
Loa Loa (eye worm) hypothetical protein 0.0033 0.3053 0.3053
Schistosoma mansoni hypothetical protein 0.0041 0.4787 0.4613
Echinococcus granulosus lamin 0.0033 0.3053 0.2821
Trypanosoma cruzi beta-ketoacyl synthase family protein, putative 0.0067 1 1
Schistosoma mansoni intermediate filament proteins 0.0033 0.3053 0.2821

Activities

Activity type Activity value Assay description Source Reference
Potency (functional) = 3.1623 um PUBCHEM_BIOASSAY: qHTS Assay for Modulators of Lamin A Splicing. (Class of assay: confirmatory) ChEMBL. No reference
Potency (functional) = 25.1189 um PUBCHEM_BIOASSAY: qHTS Assay for Inhibitors of Human alpha-Glucosidase as a Potential Chaperone Treatment of Pompe Disease. (Class of assay: confirmatory) [Related pubchem assays: 997 ] ChEMBL. No reference
Potency (functional) = 25.1189 um PUBCHEM_BIOASSAY: qHTS Assay for Activators of Human alpha-Glucosidase as a Potential Chaperone Treatment of Pompe Disease. (Class of assay: confirmatory) [Related pubchem assays: 1467, 2100, 2112, 1473, 1466 ] 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
Potency (functional) 100 uM PubChem BioAssay. qHTS for Antagonist of cAMP-regulated guanine nucleotide exchange factor 3 (EPAC1): primary screen. (Class of assay: confirmatory) 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

No literature references available for this target.

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