Detailed information for compound 1394491

Basic information

Technical information
  • TDR Targets ID: 1394491
  • Name: 1-[5-(2-oxo-2-piperidin-1-ylethyl)sulfanyl-1, 3,4-thiadiazol-2-yl]-3-phenylurea
  • MW: 377.484 | Formula: C16H19N5O2S2
  • H donors: 2 H acceptors: 4 LogP: 2.48 Rotable bonds: 8
    Rule of 5 violations (Lipinski): 1
  • SMILES: O=C(Nc1ccccc1)Nc1nnc(s1)SCC(=O)N1CCCCC1
  • InChi: 1S/C16H19N5O2S2/c22-13(21-9-5-2-6-10-21)11-24-16-20-19-15(25-16)18-14(23)17-12-7-3-1-4-8-12/h1,3-4,7-8H,2,5-6,9-11H2,(H2,17,18,19,23)
  • InChiKey: BMDMLFNQSDTFRT-UHFFFAOYSA-N  


Substructure search Similarity search

Network

Hover on a compound node to display the structore

Synonyms

  • 1-[5-[2-oxo-2-(1-piperidyl)ethyl]sulfanyl-1,3,4-thiadiazol-2-yl]-3-phenyl-urea
  • 1-[5-[[2-oxo-2-(1-piperidyl)ethyl]thio]-1,3,4-thiadiazol-2-yl]-3-phenylurea
  • 1-[5-[(2-keto-2-piperidino-ethyl)thio]-1,3,4-thiadiazol-2-yl]-3-phenyl-urea
  • 1-[5-(2-oxo-2-piperidin-1-yl-ethyl)sulfanyl-1,3,4-thiadiazol-2-yl]-3-phenyl-urea
  • G856-9908
  • NCGC00136870-01

Targets

Known targets for this compound

Species Target name Source Bibliographic reference
Homo sapiens microtubule-associated protein tau Starlite/ChEMBL No references
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
Echinococcus granulosus microtubule associated protein 2 Get druggable targets OG5_133504 All targets in OG5_133504
Loa Loa (eye worm) hypothetical protein Get druggable targets OG5_128723 All targets in OG5_128723
Schistosoma japonicum ko:K04380 microtubule-associated protein tau, putative Get druggable targets OG5_133504 All targets in OG5_133504
Echinococcus multilocularis lamin 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 Intermediate filament protein ifa-1, putative Get druggable targets OG5_128723 All targets in OG5_128723
Onchocerca volvulus Get druggable targets OG5_128723 All targets in OG5_128723
Onchocerca volvulus 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
Loa Loa (eye worm) hypothetical protein 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
Schistosoma mansoni lamin Get druggable targets OG5_128723 All targets in OG5_128723
Echinococcus multilocularis microtubule associated protein 2 Get druggable targets OG5_133504 All targets in OG5_133504
Schistosoma mansoni microtubule-associated protein tau Get druggable targets OG5_133504 All targets in OG5_133504
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
Loa Loa (eye worm) hypothetical protein 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
Schistosoma japonicum expressed 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 intermediate filament 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 multilocularis lamin dm0 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
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
Schistosoma japonicum Lamin-C, putative 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
Schistosoma mansoni lamin Get druggable targets OG5_128723 All targets in OG5_128723
Echinococcus granulosus 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
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
Onchocerca volvulus Matrix metalloproteinase homolog 0.0497 0.5801 1
Brugia malayi Matrixin family protein 0.0224 0.2396 0.3761
Trichomonas vaginalis set domain proteins, putative 0.0286 0.3171 0.5
Brugia malayi Matrix metalloprotease, N-terminal domain containing protein 0.0273 0.3006 0.472
Brugia malayi Pre-SET motif family protein 0.0251 0.2737 0.4297
Plasmodium vivax SET domain protein, putative 0.0036 0.0051 0.5
Brugia malayi Matrixin family protein 0.0224 0.2396 0.3761
Brugia malayi Matrixin family protein 0.0542 0.636 1
Schistosoma mansoni microtubule-associated protein tau 0.0833 1 1
Onchocerca volvulus 0.0036 0.0051 0.0075
Toxoplasma gondii histone lysine methyltransferase SET/SUV39 0.0036 0.0051 0.5
Echinococcus granulosus histone lysine methyltransferase setb 0.0036 0.0051 0.0043
Schistosoma mansoni matrix metallopeptidase-9 (M10 family) 0.0532 0.624 0.6237
Onchocerca volvulus 0.0224 0.2396 0.4123
Loa Loa (eye worm) hypothetical protein 0.0036 0.0051 0.008
Schistosoma mansoni hypothetical protein 0.0318 0.3564 0.356
Brugia malayi Matrixin family protein 0.0224 0.2396 0.3761
Echinococcus multilocularis histone lysine N methyltransferase SETMAR 0.0036 0.0051 0.0043
Echinococcus granulosus 5'partial|histone lysine N methyltransferase SETDB2 0.0035 0.0034 0.0027
Schistosoma mansoni histone-lysine n-methyltransferase setb1 0.0036 0.0051 0.0043
Schistosoma mansoni histone-lysine n-methyltransferase setb1 0.0036 0.0051 0.0043
Loa Loa (eye worm) matrixin family protein 0.0497 0.5801 0.9121
Mycobacterium ulcerans hydrolase 0.0273 0.3006 0.5
Loa Loa (eye worm) intermediate filament protein 0.0033 0.0007 0.0012
Schistosoma mansoni matrix metallopeptidase-7 (M10 family) 0.0224 0.2396 0.2391
Echinococcus multilocularis histone lysine methyltransferase setb histone lysine methyltransferase eggless 0.0036 0.0051 0.0043
Loa Loa (eye worm) matrixin family protein 0.0542 0.636 1
Loa Loa (eye worm) hypothetical protein 0.0033 0.0007 0.0012
Brugia malayi Hemopexin family protein 0.0318 0.3564 0.56
Echinococcus multilocularis microtubule associated protein 2 0.0833 1 1
Onchocerca volvulus 0.0318 0.3564 0.614
Mycobacterium leprae PROBABLE HYDROLASE 0.0273 0.3006 0.5
Loa Loa (eye worm) hypothetical protein 0.0224 0.2396 0.3768
Loa Loa (eye worm) matrix metalloproteinase 0.0224 0.2396 0.3768
Echinococcus granulosus matrix metallopeptidase 7 M10 family 0.0814 0.9764 0.9764
Onchocerca volvulus Matrilysin homolog 0.0224 0.2396 0.4123
Brugia malayi Pre-SET motif family protein 0.0036 0.0051 0.0068
Echinococcus multilocularis matrix metallopeptidase 7 (M10 family) 0.0814 0.9764 0.9764
Onchocerca volvulus 0.0286 0.3171 0.546
Loa Loa (eye worm) hypothetical protein 0.0224 0.2396 0.3768
Schistosoma mansoni histone-lysine n-methyltransferase suv9 0.0036 0.0051 0.0043
Onchocerca volvulus Matrilysin homolog 0.0497 0.5801 1
Brugia malayi Matrixin family protein 0.0224 0.2396 0.3761
Loa Loa (eye worm) pre-SET domain-containing protein family protein 0.0251 0.2737 0.4304
Loa Loa (eye worm) intermediate filament tail domain-containing protein 0.0033 0.0007 0.0012
Loa Loa (eye worm) hypothetical protein 0.0273 0.3006 0.4726
Mycobacterium tuberculosis Probable peptidoglycan hydrolase 0.0273 0.3006 0.5
Schistosoma mansoni histone-lysine n-methyltransferase setb1 0.0036 0.0051 0.0043
Loa Loa (eye worm) hypothetical protein 0.0224 0.2396 0.3768

Activities

Activity type Activity value Assay description Source Reference
Potency (functional) = 8.9125 um PUBCHEM_BIOASSAY: qHTS Assay for Modulators of Lamin A Splicing. (Class of assay: confirmatory) ChEMBL. No reference
Potency (functional) = 10 um PUBCHEM_BIOASSAY: Counterscreen qHTS for Inhibitors of Tau Fibril Formation, Fluorescence Polarization. This assay monitors tau fibrillation by fluorescence polarization (FP) of Alexa 594-labeled K18 P301L, which does not fibrillize readily but incorporates into growing filaments of unlabeled tau. (Class of assay: confirmatory) [Related pubchem assays: 596 ] ChEMBL. No reference
Potency (functional) 10 uM PUBCHEM_BIOASSAY: qHTS for Inhibitors of binding or entry into cells for Lassa Virus. (Class of assay: confirmatory) [Related pubchem assays (depositor defined):AID463114, AID540249] ChEMBL. No reference
Potency (functional) 21.3313 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) 28.1838 uM PUBCHEM_BIOASSAY: qHTS Assay for Inhibitors of Histone Lysine Methyltransferase G9a. (Class of assay: confirmatory) [Related pubchem assays (depositor defined):AID504404] ChEMBL. No reference
Potency (functional) 28.1838 uM PUBCHEM_BIOASSAY: qHTS for Inhibitors of TGF-b. (Class of assay: confirmatory) [Related pubchem assays (depositor defined):AID588856, AID588860] ChEMBL. No reference
Potency (functional) = 35.4813 um PUBCHEM_BIOASSAY: qHTS for Inhibitors of Tau Fibril Formation, Fluorescence Polarization. (Class of assay: confirmatory) [Related pubchem assays: 596 ] ChEMBL. No reference
Potency (functional) 39.8107 uM PubChem BioAssay. qHTS of PTHR Inhibitors: Primary Screen. (Class of assay: confirmatory) ChEMBL. No reference
Potency (functional) 89.1251 uM PubChem BioAssay. qHTS Assay to Find Inhibitors of Pin1. (Class of assay: confirmatory) ChEMBL. No reference
Potency (functional) 100 uM PUBCHEM_BIOASSAY: HTS for Inhibitors of HP1-beta Chromodomain Interactions with Methylated Histone Tails. (Class of assay: confirmatory) [Related pubchem assays (depositor defined):AID488962] ChEMBL. No reference

Phenotypes

Whole-cell/tissue/organism interactions

Species name Source Reference Is orphan
Homo sapiens 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.

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