Detailed information for compound 1754344

Basic information

Technical information
  • Name: Unnamed compound
  • MW: 329.413 | Formula: C18H19NO3S
  • H donors: 0 H acceptors: 3 LogP: 2.42 Rotable bonds: 3
    Rule of 5 violations (Lipinski): 1
  • SMILES: O=C1CCN(C(C1)c1ccccc1)S(=O)(=O)c1ccc(cc1)C
  • InChi: 1S/C18H19NO3S/c1-14-7-9-17(10-8-14)23(21,22)19-12-11-16(20)13-18(19)15-5-3-2-4-6-15/h2-10,18H,11-13H2,1H3
  • InChiKey: JWUXPNWCECHGPM-UHFFFAOYSA-N  


Substructure search Similarity search

Network

Hover on a compound node to display the structore

Synonyms

No synonyms found for this compound

Targets

Known targets for this compound

Species Target name Source Bibliographic reference
Homo sapiens TAR DNA binding protein Starlite/ChEMBL No references
Homo sapiens Rap guanine nucleotide exchange factor (GEF) 4 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) TAR-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
Schistosoma japonicum TAR DNA-binding protein 43, putative Get druggable targets OG5_132461 All targets in OG5_132461
Loa Loa (eye worm) RNA recognition domain-containing protein domain-containing 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
Schistosoma mansoni tar DNA-binding protein Get druggable targets OG5_132461 All targets in OG5_132461
Echinococcus multilocularis tar DNA binding protein Get druggable targets OG5_132461 All targets in OG5_132461
Brugia malayi TAR-binding protein Get druggable targets OG5_132461 All targets in OG5_132461
Brugia malayi N-terminal motif family protein Get druggable targets OG5_131726 All targets in OG5_131726
Loa Loa (eye worm) hypothetical protein Get druggable targets OG5_131726 All targets in OG5_131726
Schistosoma japonicum TAR DNA-binding protein 43, putative 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
Brugia malayi RNA recognition motif domain containing protein Get druggable targets OG5_132461 All targets in OG5_132461
Loa Loa (eye worm) RNA binding protein Get druggable targets OG5_132461 All targets in OG5_132461
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
Schistosoma mansoni tar DNA-binding protein Get druggable targets OG5_132461 All targets in OG5_132461
Onchocerca volvulus Rap guanine nucleotide exchange factor 1 homolog Get druggable targets OG5_131726 All targets in OG5_131726
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
Loa Loa (eye worm) TAR-binding protein 0.0076 0.0296 0.1417
Loa Loa (eye worm) DNA topoisomerase III 0.0091 0.0414 0.1983
Plasmodium vivax DNA topoisomerase 3, putative 0.0091 0.0414 0.0414
Trypanosoma brucei DNA topoisomerase II beta, putative 0.0207 0.1351 0.2393
Toxoplasma gondii DNA topoisomerase 2, putative 0.0298 0.2089 0.3701
Treponema pallidum DNA topoisomerase I (topA) 0.0091 0.0414 0.0414
Onchocerca volvulus Putative DNA topoisomerase 2, mitochondrial 0.0298 0.2089 1
Entamoeba histolytica DNA topoisomerase II, putative 0.0298 0.2089 1
Brugia malayi RNA binding protein 0.0076 0.0296 0.1417
Trypanosoma cruzi DNA topoisomerase IA, putative 0.0091 0.0414 0.0734
Trypanosoma cruzi DNA topoisomerase II, putative 0.0207 0.1351 0.2393
Wolbachia endosymbiont of Brugia malayi DNA gyrase, topoisomerase II, B subunit, GyrB 0.1274 1 1
Trypanosoma cruzi mitochondrial DNA topoisomerase II, putative 0.0736 0.5643 1
Echinococcus granulosus DNA topoisomerase 3 beta 1 0.0091 0.0414 0.1983
Trichomonas vaginalis prokaryotic DNA topoisomerase, putative 0.0091 0.0414 0.1983
Trichomonas vaginalis DNA topoisomerase II, putative 0.0298 0.2089 1
Brugia malayi Probable DNA topoisomerase II 0.0298 0.2089 1
Trichomonas vaginalis prokaryotic DNA topoisomerase, putative 0.0091 0.0414 0.1983
Toxoplasma gondii DNA topoisomerase family protein 0.0091 0.0414 0.0734
Trypanosoma cruzi DNA topoisomerase III, putative 0.0091 0.0414 0.0734
Brugia malayi DNA topoisomerase III beta-1 0.0091 0.0414 0.1983
Entamoeba histolytica DNA topoisomerase III, putative 0.0091 0.0414 0.1983
Mycobacterium leprae Probable DNA topoisomerase I TopA (omega-protein) (relaxing enzyme) (untwisting enzyme) (swivelase) (type I DNA topoisomerase) ( 0.0091 0.0414 0.1282
Mycobacterium leprae Probable DNA gyrase (subunit B) GyrB (DNA topoisomerase (ATP-hydrolysing)) (DNA topoisomerase II) (Type II DNA topoisomerase) 0.0439 0.323 1
Toxoplasma gondii DNA topoisomerase domain-containing protein 0.0091 0.0414 0.0734
Brugia malayi TAR-binding protein 0.0076 0.0296 0.1417
Treponema pallidum DNA gyrase, subunit B (gyrB) 0.1274 1 1
Trypanosoma cruzi DNA topoisomerase IA, putative 0.0091 0.0414 0.0734
Trypanosoma cruzi DNA topoisomerase II, putative 0.0207 0.1351 0.2393
Schistosoma mansoni tar DNA-binding protein 0.0076 0.0296 0.1417
Trypanosoma brucei DNA topoisomerase ii 0.0736 0.5643 1
Loa Loa (eye worm) RNA binding protein 0.0076 0.0296 0.1417
Plasmodium falciparum DNA topoisomerase 2 0.0298 0.2089 0.2089
Onchocerca volvulus DNA topoisomerase 2 homolog 0.0298 0.2089 1
Echinococcus multilocularis tar DNA binding protein 0.0076 0.0296 0.1417
Brugia malayi N-terminal motif family protein 0.0218 0.1443 0.6907
Trypanosoma brucei DNA topoisomerase III, putative 0.0091 0.0414 0.0734
Plasmodium falciparum DNA topoisomerase 3, putative 0.0091 0.0414 0.0414
Leishmania major DNA topoisomerase III, putative 0.0091 0.0414 0.0734
Giardia lamblia DNA topoisomerase III 0.0091 0.0414 0.2347
Schistosoma mansoni prokaryotic DNA topoisomerase 0.0091 0.0414 0.1983
Onchocerca volvulus Rap guanine nucleotide exchange factor 1 homolog 0.0218 0.1443 0.6142
Schistosoma mansoni tar DNA-binding protein 0.0076 0.0296 0.1417
Echinococcus granulosus tar DNA binding protein 0.0076 0.0296 0.1417
Plasmodium vivax DNA topoisomerase II, putative 0.0298 0.2089 0.2089
Leishmania major DNA topoisomerase ii 0.0207 0.1351 0.2393
Mycobacterium ulcerans DNA gyrase subunit B 0.1274 1 1
Leishmania major DNA topoisomerase III, putative 0.0091 0.0414 0.0734
Wolbachia endosymbiont of Brugia malayi topoisomerase IA, TopA 0.0091 0.0414 0.0414
Trypanosoma brucei DNA topoisomerase IA, putative 0.0091 0.0414 0.0734
Brugia malayi DNA topoisomerase III 0.0091 0.0414 0.1983
Loa Loa (eye worm) RNA recognition domain-containing protein domain-containing protein 0.0076 0.0296 0.1417
Loa Loa (eye worm) hypothetical protein 0.0218 0.1443 0.6907
Trypanosoma brucei DNA topoisomerase II alpha, putative 0.0207 0.1351 0.2393
Trypanosoma cruzi DNA topoisomerase III, putative 0.0091 0.0414 0.0734
Loa Loa (eye worm) hypothetical protein 0.0207 0.1351 0.6466
Plasmodium falciparum DNA gyrase subunit B 0.1274 1 1
Giardia lamblia DNA topoisomerase III 0.0091 0.0414 0.2347
Brugia malayi RNA recognition motif domain containing protein 0.0076 0.0296 0.1417
Schistosoma mansoni DNA topoisomerase II 0.0298 0.2089 1
Giardia lamblia DNA topoisomerase II 0.0258 0.1765 1
Toxoplasma gondii ATPase/histidine kinase/DNA gyrase B/HSP90 domain-containing protein 0.0736 0.5643 1
Echinococcus granulosus DNA topoisomerase 2 alpha 0.0298 0.2089 1
Chlamydia trachomatis DNA topoisomerase I 0.0091 0.0414 0.0414
Schistosoma mansoni prokaryotic DNA topoisomerase 0.0091 0.0414 0.1983
Plasmodium vivax DNA gyrase subunit B, putative 0.1274 1 1
Trypanosoma cruzi mitochondrial DNA topoisomerase II, putative 0.0736 0.5643 1
Echinococcus granulosus DNA topoisomerase 3 alpha 0.0091 0.0414 0.1983
Mycobacterium tuberculosis DNA gyrase (subunit B) GyrB (DNA topoisomerase (ATP-hydrolysing)) (DNA topoisomerase II) (type II DNA topoisomerase) 0.1274 1 1
Trypanosoma cruzi DNA topoisomerase III, putative 0.0091 0.0414 0.0734
Echinococcus multilocularis rho GTPase activating protein 20 0.0091 0.0414 0.1983
Brugia malayi GRF zinc finger family protein 0.0091 0.0414 0.1983
Trypanosoma brucei DNA topoisomerase III, putative 0.0091 0.0414 0.0734
Schistosoma mansoni tar DNA-binding protein 0.0076 0.0296 0.1417
Loa Loa (eye worm) hypothetical protein 0.0207 0.1351 0.6466
Echinococcus multilocularis DNA topoisomerase 3 beta 1 0.0091 0.0414 0.1983
Loa Loa (eye worm) DNA topoisomerase III beta-1 0.0091 0.0414 0.1983
Brugia malayi DNA gyrase/topoisomerase IV, A subunit family protein 0.0298 0.2089 1
Chlamydia trachomatis DNA gyrase subunit B 0.0835 0.6446 0.6446
Onchocerca volvulus DNA topoisomerase 2 homolog 0.0298 0.2089 1
Brugia malayi DNA topoisomerase II, alpha isozyme 0.0298 0.2089 1
Schistosoma mansoni tar DNA-binding protein 0.0076 0.0296 0.1417
Leishmania major mitochondrial DNA topoisomerase II 0.0736 0.5643 1
Echinococcus multilocularis DNA topoisomerase 2 alpha 0.0298 0.2089 1
Schistosoma mansoni tar DNA-binding protein 0.0076 0.0296 0.1417
Mycobacterium ulcerans DNA topoisomerase I 0.0091 0.0414 0.0414
Loa Loa (eye worm) TOPoisomerase family member 0.0298 0.2089 1
Leishmania major DNA topoisomerase 1A 0.0091 0.0414 0.0734
Entamoeba histolytica DNA topoisomerase III, putative 0.0091 0.0414 0.1983

Activities

Activity type Activity value Assay description Source Reference
Potency (functional) 3.1623 uM PubChem BioAssay. qHTS of TDP-43 Inhibitors. (Class of assay: confirmatory) ChEMBL. No reference
Potency (functional) 17.7828 uM PubChem BioAssay. qHTS for Antagonist of cAMP-regulated guanine nucleotide exchange factor 2 (EPAC2): 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.

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