Detailed information for compound 1757286

Basic information

Technical information
  • Name: Unnamed compound
  • MW: 331.82 | Formula: C16H14ClN3OS
  • H donors: 0 H acceptors: 2 LogP: 3.16 Rotable bonds: 3
    Rule of 5 violations (Lipinski): 1
  • SMILES: Clc1ccc(cc1)c1nnc(o1)CN1CCc2c(C1)scc2
  • InChi: 1S/C16H14ClN3OS/c17-13-3-1-12(2-4-13)16-19-18-15(21-16)10-20-7-5-11-6-8-22-14(11)9-20/h1-4,6,8H,5,7,9-10H2
  • InChiKey: NOLKMYKVHWSCLB-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

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 brucei proteasome subunit beta type-5, putative 0.022 1 0.5
Mycobacterium tuberculosis Proteasome beta subunit PrcB; assembles with alpha subunit PrcA. 0.022 1 0.5
Mycobacterium ulcerans proteasome PrcB 0.022 1 0.5
Trypanosoma cruzi proteasome subunit beta type-5, putative 0.022 1 1
Loa Loa (eye worm) proteasome A-type and B-type family protein 0.022 1 1
Leishmania major proteasome beta 5 subunit, putative 0.022 1 1
Trichomonas vaginalis Family T1, proteasome beta subunit, threonine peptidase 0.022 1 0.5
Echinococcus granulosus proteasome prosome macropain 0.022 1 1
Loa Loa (eye worm) TK/ROR protein kinase 0.0142 0.4146 0.2234
Mycobacterium leprae proteasome (beta subunit) PrcB 0.022 1 0.5
Brugia malayi Kringle domain containing protein 0.0142 0.4146 0.2234
Giardia lamblia Proteasome subunit beta type 5 precursor 0.022 1 0.5
Toxoplasma gondii proteasome subunit beta type, putative 0.022 1 1
Onchocerca volvulus 0.0142 0.4146 1
Onchocerca volvulus 0.0119 0.2462 0.5938
Loa Loa (eye worm) hypothetical protein 0.0142 0.4146 0.2234
Plasmodium vivax proteasome subunit beta type-5, putative 0.022 1 1
Plasmodium falciparum proteasome subunit beta type-5 0.022 1 1
Entamoeba histolytica proteasome subunit beta type 5 precursor, putative 0.022 1 0.5
Brugia malayi Protein kinase domain containing protein 0.0142 0.4146 0.2234
Schistosoma mansoni proteasome catalytic subunit 3 (T01 family) 0.022 1 1
Echinococcus multilocularis proteasome (prosome, macropain) 0.022 1 1
Schistosoma mansoni hypothetical protein 0.0142 0.4146 0.2234
Trypanosoma cruzi proteasome subunit beta type-5, putative 0.022 1 1

Activities

Activity type Activity value Assay description Source Reference
MIC (functional) = 60 ug ml-1 Antifungal activity against Candida albicans NCIM 3471 by agar method ChEMBL. 23434418
MIC (functional) = 100 ug ml-1 Antibacterial activity against Escherichia coli NCIM 2256 by agar method ChEMBL. 23434418

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.

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