Detailed information for compound 1493181

Basic information

Technical information
  • Name: Unnamed compound
  • MW: 311.355 | Formula: C17H13NO3S
  • H donors: 1 H acceptors: 2 LogP: 3.1 Rotable bonds: 4
    Rule of 5 violations (Lipinski): 1
  • SMILES: CSc1ccc(cc1)NC(=O)c1cc(=O)c2c(o1)cccc2
  • InChi: 1S/C17H13NO3S/c1-22-12-8-6-11(7-9-12)18-17(20)16-10-14(19)13-4-2-3-5-15(13)21-16/h2-10H,1H3,(H,18,20)
  • InChiKey: DKTNICPNPQHDTI-UHFFFAOYSA-N  

Network

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Synonyms

No synonyms found for this compound

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
Trypanosoma cruzi trans-sialidase, Group I, putative 0.0171 0.1915 1
Trypanosoma cruzi trans-sialidase, putative 0.0171 0.1915 0.9998
Brugia malayi Probable ClpP-like protease 0.008 0.0476 0.0476
Trypanosoma cruzi trans-sialidase, Group I, putative 0.0171 0.1915 1
Mycobacterium leprae PROBABLE ATP-DEPENDENT CLP PROTEASE PROTEOLYTIC SUBUNIT 2 CLPP2 (ENDOPEPTIDASE CLP 2) 0.008 0.0476 1
Schistosoma mansoni hypothetical protein 0.0173 0.1941 0.1941
Plasmodium falciparum ATP-dependent Clp protease proteolytic subunit 0.008 0.0476 0.5
Trypanosoma cruzi trans-sialidase, putative 0.0171 0.1915 0.9998
Schistosoma mansoni microtubule-associated protein tau 0.0671 0.9788 0.9788
Loa Loa (eye worm) hypothetical protein 0.008 0.0476 0.0476
Chlamydia trachomatis ATP-dependent Clp protease proteolytic subunit 0.008 0.0476 0.5
Trypanosoma cruzi trans-sialidase, Group I, putative 0.0171 0.1915 1
Trypanosoma brucei trans-sialidase, putative 0.0171 0.1915 1
Trypanosoma cruzi trans-sialidase, Group I, putative 0.0171 0.1915 1
Trypanosoma cruzi trans-sialidase, Group I, putative 0.0171 0.1915 1
Trypanosoma cruzi trans-sialidase, putative 0.0171 0.1915 1
Treponema pallidum ATP-dependent Clp protease proteolytic subunit 0.008 0.0476 0.5
Loa Loa (eye worm) protein-tyrosine phosphatase 0.0684 1 1
Mycobacterium ulcerans ATP-dependent Clp protease proteolytic subunit 0.008 0.0476 0.5
Schistosoma mansoni protein tyrosine phosphatase non-receptor type nt1 0.0684 1 1
Trypanosoma cruzi trans-sialidase, putative 0.0171 0.1915 1
Trypanosoma cruzi trans-sialidase, putative 0.0171 0.1915 1
Echinococcus granulosus peptidase Clp S14 family 0.0052 0.0043 0.0043
Leishmania major mitogen activated protein kinase, putative,map kinase, putative 0.005 0 0.5
Echinococcus multilocularis tyrosine protein phosphatase non receptor type 0.0684 1 1
Echinococcus granulosus microtubule associated protein 2 0.0671 0.9788 0.9788
Echinococcus granulosus tyrosine protein phosphatase non receptor type 0.0684 1 1
Trichomonas vaginalis conserved hypothetical protein 0.0513 0.7307 1
Echinococcus multilocularis peptidase Clp (S14 family) 0.0052 0.0043 0.0043
Trypanosoma brucei trans-sialidase, putative 0.0171 0.1915 1
Chlamydia trachomatis ATP-dependent Clp protease proteolytic subunit 0.008 0.0476 0.5
Mycobacterium tuberculosis Probable ATP-dependent CLP protease proteolytic subunit 2 ClpP2 (endopeptidase CLP 2) 0.0052 0.0043 0.5
Giardia lamblia Kinase, CMGC MAPK 0.005 0 0.5
Trypanosoma cruzi trans-sialidase, putative 0.0171 0.1915 0.9998
Trypanosoma cruzi trans-sialidase, Group I, putative 0.0171 0.1915 1
Trichomonas vaginalis Sialidase-1 precursor, putative 0.0513 0.7307 1
Schistosoma mansoni peptidase Clp (S14 family) 0.008 0.0476 0.0476
Echinococcus granulosus geminin 0.0173 0.1941 0.1941
Echinococcus granulosus ATP dependent Clp protease proteolytic subunit 0.008 0.0476 0.0476
Trypanosoma brucei trans-sialidase, putative 0.0171 0.1915 1
Echinococcus multilocularis geminin 0.0173 0.1941 0.1941
Echinococcus multilocularis microtubule associated protein 2 0.0671 0.9788 0.9788
Trypanosoma cruzi trans-sialidase, Group I, putative 0.0171 0.1915 1
Trypanosoma cruzi trans-sialidase, Group I, putative 0.0171 0.1915 1
Trypanosoma cruzi trans-sialidase, Group I, putative 0.0171 0.1915 1
Toxoplasma gondii ATP-dependent Clp endopeptidase, proteolytic subunit ClpP domain-containing protein 0.008 0.0476 1
Toxoplasma gondii ATP-dependent Clp endopeptidase, proteolytic subunit ClpP domain-containing protein 0.008 0.0476 1
Trypanosoma cruzi trans-sialidase, Group I, putative 0.0171 0.1915 1
Leishmania major mitogen activated protein kinase 4, putative;with=GeneDB:LmxM19.1440 0.005 0 0.5
Wolbachia endosymbiont of Brugia malayi ATP-dependent Clp protease proteolytic subunit 0.008 0.0476 0.5
Schistosoma mansoni hypothetical protein 0.0173 0.1941 0.1941
Trypanosoma cruzi trans-sialidase, Group I, putative 0.0171 0.1915 1
Plasmodium vivax ATP-dependent Clp protease proteolytic subunit, putative 0.008 0.0476 0.5
Trypanosoma brucei trans-sialidase 0.0171 0.1915 1
Echinococcus multilocularis ATP dependent Clp protease proteolytic subunit 0.008 0.0476 0.0476
Trypanosoma brucei trans-sialidase, putative 0.0171 0.1915 1
Mycobacterium tuberculosis Probable ATP-dependent CLP protease proteolytic subunit 1 ClpP1 (endopeptidase CLP) 0.0052 0.0043 0.5
Trypanosoma cruzi trans-sialidase, putative 0.0171 0.1915 0.9998
Mycobacterium ulcerans ATP-dependent Clp protease proteolytic subunit 0.008 0.0476 0.5
Trichomonas vaginalis conserved hypothetical protein 0.0319 0.4249 0.5815
Trypanosoma brucei trans-sialidase, putative 0.0171 0.1915 1

Activities

Activity type Activity value Assay description Source Reference
Inhibition (binding) Inhibition of human recombinant MAOA expressed in baculovirus-infected BTI insect cells at 100 uM after 15 mins by fluorimetric assay ChEMBL. 21194943
Inhibition (binding) Inhibition of human recombinant MAOB expressed in baculovirus-infected BTI insect cells at 100 uM after 15 mins by fluorimetric assay ChEMBL. 21194943

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

1 literature reference was collected for this gene.

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