Detailed information for compound 428539

Basic information

Technical information
  • Name: Unnamed compound
  • MW: 353.435 | Formula: C20H19NO3S
  • H donors: 1 H acceptors: 2 LogP: 5.4 Rotable bonds: 4
    Rule of 5 violations (Lipinski): 1
  • SMILES: O=C1NC(=O)/C(=C\c2cccc(c2)Oc2ccc(cc2)C(C)(C)C)/S1
  • InChi: 1S/C20H19NO3S/c1-20(2,3)14-7-9-15(10-8-14)24-16-6-4-5-13(11-16)12-17-18(22)21-19(23)25-17/h4-12H,1-3H3,(H,21,22,23)/b17-12+
  • InChiKey: WRHRBZBFFREDST-SFQUDFHCSA-N  

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 ADAM metallopeptidase with thrombospondin type 1 motif, 5 Starlite/ChEMBL References

Predicted pathogen targets for this compound

By orthology
Species Potential target Known druggable target/s Ortholog Group
Echinococcus multilocularis a disintegrin and metalloproteinase with Get druggable targets OG5_126771 All targets in OG5_126771
Schistosoma japonicum ko:K08624 ADAM metallopeptidase with thrombospondin type 1 motif, 9, putative Get druggable targets OG5_126771 All targets in OG5_126771
Schistosoma mansoni ADAMTS5 peptidase (M12 family) Get druggable targets OG5_126771 All targets in OG5_126771
Echinococcus granulosus a disintegrin and metalloproteinase with Get druggable targets OG5_126771 All targets in OG5_126771
Loa Loa (eye worm) hypothetical protein Get druggable targets OG5_126771 All targets in OG5_126771
Brugia malayi ADAM-TS Spacer 1 family protein Get druggable targets OG5_126771 All targets in OG5_126771

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
Trypanosoma brucei Polypeptide deformylase 1 0.0183 0.3351 0.5
Toxoplasma gondii hypothetical protein 0.0479 1 0.5
Echinococcus multilocularis a disintegrin and metalloproteinase with 0.0046 0.0272 0.5
Mycobacterium tuberculosis Probable polypeptide deformylase Def (PDF) (formylmethionine deformylase) 0.0479 1 0.5
Trypanosoma cruzi polypeptide deformylase-like protein, putative 0.0183 0.3351 0.5
Mycobacterium leprae PROBABLE POLYPEPTIDE DEFORMYLASE DEF (PDF) (FORMYLMETHIONINE DEFORMYLASE) 0.0479 1 0.5
Mycobacterium ulcerans peptide deformylase 0.0479 1 0.5
Trypanosoma cruzi Peptide deformylase 2, putative 0.0183 0.3351 0.5
Brugia malayi ADAM-TS Spacer 1 family protein 0.0109 0.17 1
Wolbachia endosymbiont of Brugia malayi peptide deformylase 0.0479 1 0.5
Trypanosoma cruzi Peptide deformylase 2, putative 0.0183 0.3351 0.5
Trypanosoma brucei Peptide deformylase 2 0.0183 0.3351 0.5
Loa Loa (eye worm) hypothetical protein 0.0109 0.17 1
Echinococcus granulosus a disintegrin and metalloproteinase with 0.0046 0.0272 0.5
Treponema pallidum polypeptide deformylase (def) 0.0479 1 0.5
Trypanosoma cruzi polypeptide deformylase-like protein, putative 0.0183 0.3351 0.5
Schistosoma mansoni ADAMTS5 peptidase (M12 family) 0.0046 0.0272 0.5
Plasmodium vivax peptide deformylase, putative 0.0479 1 0.5
Plasmodium falciparum peptide deformylase 0.0479 1 0.5
Onchocerca volvulus Papilin homolog 0.0035 0.0022 0.5
Leishmania major polypeptide deformylase-like protein, putative 0.0183 0.3351 0.5

Activities

Activity type Activity value Assay description Source Reference
IC50 (binding) = 6.8 uM Inhibition of ADAMTS5 ChEMBL. 17210251
IC50 (binding) = 6.8 uM Inhibition of ADAMTS5 ChEMBL. 17210251

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

No external resources registered for this compound

Bibliographic References

1 literature reference was collected for this gene.

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