Detailed information for compound 1280792

Basic information

Technical information
  • TDR Targets ID: 1280792
  • Name: E213-0765
  • MW: 381.491 | Formula: C21H23N3O2S
  • H donors: 0 H acceptors: 2 LogP: 3.33 Rotable bonds: 5
    Rule of 5 violations (Lipinski): 1
  • SMILES: CCN(C(=O)c1sc2c(c1C)c(=O)n1c(n2)CCCC1)Cc1ccccc1
  • InChi: 1S/C21H23N3O2S/c1-3-23(13-15-9-5-4-6-10-15)21(26)18-14(2)17-19(27-18)22-16-11-7-8-12-24(16)20(17)25/h4-6,9-10H,3,7-8,11-13H2,1-2H3
  • InChiKey: AMTBDMRVRHMBJW-UHFFFAOYSA-N  


Substructure search Similarity search

Network

Hover on a compound node to display the structore

Synonyms

  • NCGC00121154-01

Targets

Known targets for this compound

Species Target name Source Bibliographic reference
Homo sapiens lamin A/C Starlite/ChEMBL No references
Homo sapiens euchromatic histone-lysine N-methyltransferase 2 Starlite/ChEMBL No references
Homo sapiens TAR DNA binding protein Starlite/ChEMBL No references
Homo sapiens microtubule-associated protein tau Starlite/ChEMBL No references

Predicted pathogen targets for this compound

By orthology
Species Potential target Known druggable target/s Ortholog Group
Loa Loa (eye worm) hypothetical protein Get druggable targets OG5_128723 All targets in OG5_128723
Schistosoma mansoni tar DNA-binding protein Get druggable targets OG5_132461 All targets in OG5_132461
Schistosoma mansoni lamin 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
Brugia malayi RNA recognition motif domain containing protein Get druggable targets OG5_132461 All targets in OG5_132461
Echinococcus multilocularis microtubule associated protein 2 Get druggable targets OG5_133504 All targets in OG5_133504
Schistosoma mansoni tar DNA-binding protein Get druggable targets OG5_132461 All targets in OG5_132461
Schistosoma japonicum TAR DNA-binding protein 43, putative Get druggable targets OG5_132461 All targets in OG5_132461
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
Echinococcus granulosus 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 multilocularis musashi Get druggable targets OG5_128723 All targets in OG5_128723
Loa Loa (eye worm) RNA recognition domain-containing protein domain-containing protein Get druggable targets OG5_132461 All targets in OG5_132461
Loa Loa (eye worm) TAR-binding protein Get druggable targets OG5_132461 All targets in OG5_132461
Schistosoma japonicum Intermediate filament protein ifa-1, putative 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
Echinococcus granulosus microtubule associated protein 2 Get druggable targets OG5_133504 All targets in OG5_133504
Onchocerca volvulus Get druggable targets OG5_128723 All targets in OG5_128723
Trichomonas vaginalis set domain proteins, putative Get druggable targets OG5_131470 All targets in OG5_131470
Brugia malayi Intermediate filament tail domain containing protein Get druggable targets OG5_128723 All targets in OG5_128723
Loa Loa (eye worm) RNA binding protein Get druggable targets OG5_132461 All targets in OG5_132461
Onchocerca volvulus Get druggable targets OG5_131470 All targets in OG5_131470
Echinococcus multilocularis tar DNA binding protein Get druggable targets OG5_132461 All targets in OG5_132461
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
Echinococcus granulosus cytoplasmic intermediate filament protein Get druggable targets OG5_128723 All targets in OG5_128723
Brugia malayi TAR-binding protein Get druggable targets OG5_132461 All targets in OG5_132461
Brugia malayi RNA binding protein Get druggable targets OG5_132461 All targets in OG5_132461
Echinococcus multilocularis lamin 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
Onchocerca volvulus Get druggable targets OG5_128723 All targets in OG5_128723
Brugia malayi Pre-SET motif family protein Get druggable targets OG5_131470 All targets in OG5_131470
Loa Loa (eye worm) hypothetical protein Get druggable targets OG5_128723 All targets in OG5_128723
Schistosoma japonicum TAR DNA-binding protein 43, putative Get druggable targets OG5_132461 All targets in OG5_132461
Schistosoma mansoni tar DNA-binding protein Get druggable targets OG5_132461 All targets in OG5_132461
Schistosoma japonicum Lamin-C, putative 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
Echinococcus granulosus lamin 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 japonicum expressed protein Get druggable targets OG5_128723 All targets in OG5_128723
Echinococcus granulosus tar DNA binding protein Get druggable targets OG5_132461 All targets in OG5_132461
Schistosoma mansoni tar DNA-binding protein Get druggable targets OG5_132461 All targets in OG5_132461
Loa Loa (eye worm) pre-SET domain-containing protein family protein Get druggable targets OG5_131470 All targets in OG5_131470
Schistosoma mansoni intermediate filament proteins Get druggable targets OG5_128723 All targets in OG5_128723
Echinococcus multilocularis lamin dm0 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 ko:K04380 microtubule-associated protein tau, putative 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
Schistosoma mansoni tar DNA-binding protein Get druggable targets OG5_132461 All targets in OG5_132461
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 RNA recognition motif domain containing protein 0.0076 0.0724 0.2051
Plasmodium vivax SET domain protein, putative 0.0036 0.0228 0.5
Onchocerca volvulus 0.0286 0.3292 1
Leishmania major 0.0305 0.3529 0.5
Schistosoma mansoni tar DNA-binding protein 0.0076 0.0724 0.0549
Echinococcus multilocularis tar DNA binding protein 0.0076 0.0724 0.0549
Onchocerca volvulus 0.0036 0.0228 0.0137
Brugia malayi intermediate filament protein 0.0033 0.0185 0.0525
Loa Loa (eye worm) pre-SET domain-containing protein family protein 0.0251 0.2867 0.8123
Echinococcus granulosus fructose 16 bisphosphatase 1 0.0305 0.3529 0.3407
Schistosoma mansoni tar DNA-binding protein 0.0076 0.0724 0.0549
Schistosoma mansoni histone-lysine n-methyltransferase setb1 0.0036 0.0228 0.0043
Loa Loa (eye worm) intermediate filament tail domain-containing protein 0.0033 0.0185 0.0525
Schistosoma mansoni tar DNA-binding protein 0.0076 0.0724 0.0549
Loa Loa (eye worm) TAR-binding protein 0.0076 0.0724 0.2051
Trichomonas vaginalis set domain proteins, putative 0.0286 0.3292 0.5
Brugia malayi RNA binding protein 0.0076 0.0724 0.2051
Schistosoma mansoni tar DNA-binding protein 0.0076 0.0724 0.0549
Schistosoma mansoni tar DNA-binding protein 0.0076 0.0724 0.0549
Echinococcus multilocularis microtubule associated protein 2 0.0833 1 1
Echinococcus granulosus tar DNA binding protein 0.0076 0.0724 0.0549
Schistosoma mansoni histone-lysine n-methyltransferase suv9 0.0036 0.0228 0.0043
Trypanosoma brucei fructose-1,6-bisphosphatase 0.0305 0.3529 1
Loa Loa (eye worm) RNA recognition domain-containing protein domain-containing protein 0.0076 0.0724 0.2051
Schistosoma mansoni histone-lysine n-methyltransferase setb1 0.0036 0.0228 0.0043
Schistosoma mansoni histone-lysine n-methyltransferase setb1 0.0036 0.0228 0.0043
Toxoplasma gondii fructose-bisphospatase II 0.0305 0.3529 1
Loa Loa (eye worm) RNA binding protein 0.0076 0.0724 0.2051
Echinococcus multilocularis histone lysine N methyltransferase SETMAR 0.0036 0.0228 0.0043
Loa Loa (eye worm) fructose-1,6-bisphosphatase 0.0305 0.3529 1
Toxoplasma gondii sedoheptulose-1,7-bisphosphatase 0.0114 0.1178 0.2878
Schistosoma mansoni fructose-16-bisphosphatase-related 0.0305 0.3529 0.3407
Schistosoma mansoni microtubule-associated protein tau 0.0833 1 1
Echinococcus multilocularis fructose 1,6 bisphosphatase 1 0.0305 0.3529 0.3407
Loa Loa (eye worm) hypothetical protein 0.0033 0.0185 0.0525
Loa Loa (eye worm) hypothetical protein 0.0032 0.0178 0.0504
Echinococcus granulosus histone lysine methyltransferase setb 0.0036 0.0228 0.0043
Trypanosoma cruzi fructose-1,6-bisphosphatase, cytosolic, putative 0.0305 0.3529 1
Toxoplasma gondii fructose-bisphospatase I 0.0114 0.1178 0.2878
Loa Loa (eye worm) intermediate filament protein 0.0033 0.0185 0.0525
Brugia malayi TAR-binding protein 0.0076 0.0724 0.2051
Trypanosoma cruzi fructose-1,6-bisphosphatase, cytosolic, putative 0.0305 0.3529 1
Echinococcus granulosus 5'partial|histone lysine N methyltransferase SETDB2 0.0035 0.0212 0.0027
Brugia malayi Pre-SET motif family protein 0.0036 0.0228 0.0646
Loa Loa (eye worm) hypothetical protein 0.0036 0.0228 0.0646
Echinococcus multilocularis histone lysine methyltransferase setb histone lysine methyltransferase eggless 0.0036 0.0228 0.0043
Brugia malayi fructose-1,6-bisphosphatase 0.0305 0.3529 1
Brugia malayi Pre-SET motif family protein 0.0251 0.2867 0.8123
Brugia malayi Intermediate filament tail domain containing protein 0.0033 0.0185 0.0525

Activities

Activity type Activity value Assay description Source Reference
Potency (functional) = 0.7079 um PUBCHEM_BIOASSAY: qHTS Assay for Modulators of Lamin A Splicing. (Class of assay: confirmatory) ChEMBL. No reference
Potency (binding) = 4.4668 um PUBCHEM_BIOASSAY: qHTS for Inhibitors of Tau Fibril Formation, Thioflavin T Binding. (Class of assay: confirmatory) [Related pubchem assays: 596 ] ChEMBL. No reference
Potency (functional) = 7.9433 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) 11.2202 uM PubChem BioAssay. qHTS of TDP-43 Inhibitors. (Class of assay: confirmatory) ChEMBL. No reference
Potency (functional) 12.5893 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) 22.3872 uM PUBCHEM_BIOASSAY: qHTS Assay for Inhibitors of GCN5L2. (Class of assay: confirmatory) [Related pubchem assays (depositor defined):AID504398] ChEMBL. No reference
Potency (functional) 22.3872 uM PubChem BioAssay. qHTS of GLP-1 Receptor Inverse Agonists (Inhibition Mode). (Class of assay: confirmatory) ChEMBL. No reference
Potency (functional) 23.1093 uM PUBCHEM_BIOASSAY: Nrf2 qHTS screen for inhibitors. (Class of assay: confirmatory) [Related pubchem assays (depositor defined):AID493153, AID493163, AID504648] ChEMBL. No reference
Potency (binding) = 35.4813 um PUBCHEM_BIOASSAY: qHTS Assay for Identification of Novel General Anesthetics. In this assay, a GABAergic mimetic model system, apoferritin and a profluorescent 1-aminoanthracene ligand (1-AMA), was used to construct a competitive binding assay for identification of novel general anesthetics (Class of assay: confirmatory) [Related pubchem assays: 2385 (Probe Development Summary for Identification of Novel General Anesthetics), 2323 (Validation apoferritin assay run on SigmaAldrich LOPAC1280 collection)] ChEMBL. No reference
Potency (functional) 35.4813 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) 79.4328 uM PUBCHEM_BIOASSAY: qHTS for Inhibitors of Polymerase Iota. (Class of assay: confirmatory) [Related pubchem assays (depositor defined):AID588623] ChEMBL. No reference
Potency (functional) = 89.1251 um PUBCHEM_BIOASSAY: qHTS Assay for Inhibitors of DNA Polymerase Beta. (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.

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