Detailed information for compound 1539083

Basic information

Technical information
  • TDR Targets ID: 1539083
  • Name: (5-oxo-2-propan-2-yl-[1,3,4]thiadiazolo[3,2-a ]pyrimidin-7-yl)methyl furan-2-carboxylate
  • MW: 319.336 | Formula: C14H13N3O4S
  • H donors: 0 H acceptors: 2 LogP: 2.02 Rotable bonds: 5
    Rule of 5 violations (Lipinski): 1
  • SMILES: CC(c1nn2c(s1)nc(cc2=O)COC(=O)c1ccco1)C
  • InChi: 1S/C14H13N3O4S/c1-8(2)12-16-17-11(18)6-9(15-14(17)22-12)7-21-13(19)10-4-3-5-20-10/h3-6,8H,7H2,1-2H3
  • InChiKey: SXYPVKTTXWYSBN-UHFFFAOYSA-N  


Substructure search Similarity search

Network

Hover on a compound node to display the structore

Synonyms

  • (2-isopropyl-5-oxo-[1,3,4]thiadiazolo[3,2-a]pyrimidin-7-yl)methyl furan-2-carboxylate
  • 2-furancarboxylic acid (2-isopropyl-5-oxo-[1,3,4]thiadiazolo[3,2-a]pyrimidin-7-yl)methyl ester
  • furan-2-carboxylic acid (2-isopropyl-5-keto-[1,3,4]thiadiazolo[3,2-a]pyrimidin-7-yl)methyl ester
  • G265-0068
  • NCGC00129954-01

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
Schistosoma mansoni intermediate filament proteins 0.0033 0.0325 0.1339
Onchocerca volvulus 0.0033 0.0325 0.0843
Brugia malayi Pre-SET motif family protein 0.0032 0.0316 0.0938
Schistosoma mansoni gcn5proteinral control of amino-acid synthesis 5-like 2 gcnl2 0.0141 0.2052 0.8447
Loa Loa (eye worm) pre-SET domain-containing protein family protein 0.0223 0.3366 0.3366
Onchocerca volvulus 0.0048 0.0572 0.1482
Onchocerca volvulus 0.0033 0.0325 0.0843
Onchocerca volvulus 0.0039 0.0421 0.1091
Toxoplasma gondii histone lysine acetyltransferase GCN5-B 0.0041 0.0466 0.0155
Brugia malayi Hypothetical 52.5 kDa protein ZK945.1 in chromosome II, putative 0.0039 0.0421 0.1251
Echinococcus granulosus intermediate filament protein 0.0033 0.0325 0.0645
Loa Loa (eye worm) acetyltransferase 0.0141 0.2052 0.2052
Mycobacterium ulcerans fusion of enoyl-CoA hydratase, EchA21 and lipase, LipE 0.0039 0.0421 0.5
Leishmania major hypothetical protein, conserved 0.0039 0.0421 0.5
Loa Loa (eye worm) beta-lactamase 0.0039 0.0421 0.0421
Brugia malayi cytoplasmic intermediate filament protein 0.0017 0.0084 0.0249
Entamoeba histolytica hypothetical protein 0.0043 0.0499 1
Brugia malayi Intermediate filament tail domain containing protein 0.0033 0.0325 0.0967
Loa Loa (eye worm) hypothetical protein 0.0039 0.0421 0.0421
Echinococcus multilocularis histone lysine methyltransferase setb histone lysine methyltransferase eggless 0.0032 0.0316 0.0626
Brugia malayi MH2 domain containing protein 0.0126 0.1813 0.5385
Schistosoma mansoni histone-lysine n-methyltransferase setb1 0.0032 0.0316 0.13
Onchocerca volvulus 0.0254 0.3858 1
Echinococcus granulosus Mitotic checkpoint protein PRCC C terminal 0.0152 0.2234 0.443
Loa Loa (eye worm) hypothetical protein 0.0039 0.0421 0.0421
Echinococcus granulosus histone lysine methyltransferase setb 0.0032 0.0316 0.0626
Schistosoma mansoni transcription factor LCR-F1 0.0043 0.0499 0.2055
Schistosoma mansoni hypothetical protein 0.0152 0.2234 0.9197
Echinococcus granulosus cytoplasmic intermediate filament protein 0.0016 0.0056 0.0111
Onchocerca volvulus 0.0039 0.0421 0.1091
Mycobacterium tuberculosis Possible penicillin-binding protein 0.0246 0.3741 1
Echinococcus multilocularis Mitotic checkpoint protein PRCC, C terminal 0.0152 0.2234 0.443
Schistosoma mansoni histone-lysine n-methyltransferase setb1 0.0032 0.0316 0.13
Trypanosoma brucei hypothetical protein, conserved 0.0039 0.0421 0.5
Brugia malayi beta-lactamase family protein 0.0039 0.0421 0.1251
Toxoplasma gondii hypothetical protein 0.0638 1 1
Trichomonas vaginalis set domain proteins, putative 0.0254 0.3858 1
Mycobacterium ulcerans lipase LipD 0.0039 0.0421 0.5
Loa Loa (eye worm) hypothetical protein 0.0638 1 1
Giardia lamblia Histone acetyltransferase GCN5 0.0038 0.0411 0.5
Echinococcus multilocularis beta LACTamase domain containing family member 0.0039 0.0421 0.0835
Loa Loa (eye worm) cytoplasmic intermediate filament protein 0.0017 0.0084 0.0084
Loa Loa (eye worm) inward rectifying k channel family protein 1 0.0638 1 1
Loa Loa (eye worm) intermediate filament tail domain-containing protein 0.0033 0.0325 0.0325
Loa Loa (eye worm) MH2 domain-containing protein 0.0126 0.1813 0.1813
Entamoeba histolytica hypothetical protein 0.0043 0.0499 1
Echinococcus multilocularis Basic leucine zipper (bZIP) transcription 0.0043 0.0499 0.099
Loa Loa (eye worm) hypothetical protein 0.0033 0.0325 0.0325
Mycobacterium leprae Probable lipase LipE 0.0039 0.0421 0.5
Loa Loa (eye worm) beta-LACTamase domain containing family member 0.0039 0.0421 0.0421
Loa Loa (eye worm) hypothetical protein 0.0032 0.0316 0.0316
Schistosoma mansoni family S12 unassigned peptidase (S12 family) 0.0039 0.0421 0.1733
Schistosoma mansoni hypothetical protein 0.0043 0.0499 0.2055
Echinococcus granulosus lamin dm0 0.0033 0.0325 0.0645
Echinococcus multilocularis tumor protein p63 0.0328 0.5043 1
Mycobacterium ulcerans hypothetical protein 0.0039 0.0421 0.5
Schistosoma mansoni lamin 0.0033 0.0325 0.1339
Entamoeba histolytica hypothetical protein 0.0043 0.0499 1
Schistosoma mansoni family S12 unassigned peptidase (S12 family) 0.0039 0.0421 0.1733
Loa Loa (eye worm) hypothetical protein 0.0039 0.0421 0.0421
Onchocerca volvulus 0.0032 0.0316 0.0818
Echinococcus granulosus histone acetyltransferase KAT2B 0.0041 0.0466 0.0924
Echinococcus granulosus beta LACTamase domain containing family member 0.0039 0.0421 0.0835
Echinococcus multilocularis musashi 0.0033 0.0325 0.0645
Brugia malayi hypothetical protein 0.0043 0.0499 0.1483
Echinococcus multilocularis cytoplasmic intermediate filament protein 0.0016 0.0056 0.0111
Echinococcus granulosus Basic leucine zipper bZIP transcription 0.0043 0.0499 0.099
Loa Loa (eye worm) hypothetical protein 0.0039 0.0421 0.0421
Echinococcus granulosus lamin 0.0033 0.0325 0.0645
Echinococcus multilocularis thyroid hormone receptor alpha 0.0164 0.2429 0.4817
Schistosoma mansoni lamin 0.0033 0.0325 0.1339
Schistosoma mansoni histone-lysine n-methyltransferase setb1 0.0032 0.0316 0.13
Brugia malayi intermediate filament protein 0.0033 0.0325 0.0967
Loa Loa (eye worm) hypothetical protein 0.0032 0.0316 0.0316
Schistosoma mansoni thyroid hormone receptor 0.0164 0.2429 1
Echinococcus multilocularis histone lysine N methyltransferase SETMAR 0.0032 0.0316 0.0626
Loa Loa (eye worm) hypothetical protein 0.0048 0.0572 0.0572
Entamoeba histolytica hypothetical protein 0.0043 0.0499 1
Plasmodium falciparum histone acetyltransferase GCN5 0.0038 0.0411 0.5
Loa Loa (eye worm) hypothetical protein 0.0015 0.0047 0.0047
Mycobacterium leprae conserved hypothetical protein 0.0039 0.0421 0.5
Loa Loa (eye worm) hypothetical protein 0.0039 0.0421 0.0421
Plasmodium vivax histone acetyltransferase GCN5, putative 0.0041 0.0466 1
Schistosoma mansoni histone-lysine n-methyltransferase suv9 0.0032 0.0316 0.13
Plasmodium vivax hypothetical protein, conserved 0.0039 0.0421 0.702
Trypanosoma cruzi hypothetical protein, conserved 0.0039 0.0421 0.5
Schistosoma mansoni thyroid hormone receptor 0.0164 0.2429 1
Brugia malayi beta-lactamase family protein 0.0039 0.0421 0.1251
Echinococcus multilocularis lamin dm0 0.0033 0.0325 0.0645
Echinococcus granulosus tumor protein p63 0.0328 0.5043 1
Loa Loa (eye worm) hypothetical protein 0.0015 0.0047 0.0047
Brugia malayi acetyltransferase, GNAT family protein 0.0141 0.2052 0.6096
Toxoplasma gondii histone lysine acetyltransferase GCN5-A 0.0041 0.0466 0.0155
Echinococcus granulosus histone acetyltransferase KAT2B 0.0137 0.1989 0.3944
Loa Loa (eye worm) intermediate filament protein 0.0033 0.0325 0.0325
Schistosoma mansoni cellular tumor antigen P53 0.0048 0.0572 0.2353
Trichomonas vaginalis bromodomain-containing protein, putative 0.0041 0.0466 0.013
Brugia malayi beta-lactamase 0.0039 0.0421 0.1251
Echinococcus multilocularis lamin 0.0033 0.0325 0.0645
Mycobacterium ulcerans beta-lactamase 0.0039 0.0421 0.5
Loa Loa (eye worm) hypothetical protein 0.0016 0.0056 0.0056
Loa Loa (eye worm) hypothetical protein 0.0638 1 1
Trichomonas vaginalis cat eye syndrome critical region protein 2, cscr2, putative 0.0041 0.0466 0.013
Mycobacterium ulcerans esterase/lipase LipP 0.0039 0.0421 0.5
Onchocerca volvulus 0.0039 0.0421 0.1091
Echinococcus multilocularis gcn5proteinral control of amino acid synthesis 0.0141 0.2052 0.4069
Brugia malayi Pre-SET motif family protein 0.0223 0.3366 1
Loa Loa (eye worm) transcription factor SMAD2 0.0126 0.1813 0.1813
Loa Loa (eye worm) hypothetical protein 0.0039 0.0421 0.0421
Trypanosoma cruzi hypothetical protein, conserved 0.0039 0.0421 0.5
Echinococcus granulosus 5'partial|histone lysine N methyltransferase SETDB2 0.0031 0.0297 0.0589
Toxoplasma gondii ABC1 family protein 0.0039 0.0421 0.0109

Activities

Activity type Activity value Assay description Source Reference
Potency (functional) 26.8545 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

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.

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