Detailed information for compound 975327

Basic information

Technical information
  • Name: Unnamed compound
  • MW: 245.747 | Formula: C15H16ClN
  • H donors: 1 H acceptors: 0 LogP: 3.66 Rotable bonds: 2
    Rule of 5 violations (Lipinski): 1
  • SMILES: N[C@@H]1C[C@H]1c1ccc(cc1)c1ccccc1.Cl
  • InChi: 1S/C15H15N.ClH/c16-15-10-14(15)13-8-6-12(7-9-13)11-4-2-1-3-5-11;/h1-9,14-15H,10,16H2;1H/t14-,15+;/m0./s1
  • InChiKey: SJZYFNSAAMLGTN-LDXVYITESA-N  

Network

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Synonyms

No synonyms found for this compound

Targets

Known targets for this compound

Species Target name Source Bibliographic reference
Homo sapiens lysine (K)-specific demethylase 1A Starlite/ChEMBL References

Predicted pathogen targets for this compound

By orthology
Species Potential target Known druggable target/s Ortholog Group
Echinococcus granulosus lysine specific histone demethylase 1A Get druggable targets OG5_130448 All targets in OG5_130448
Loa Loa (eye worm) hypothetical protein Get druggable targets OG5_130448 All targets in OG5_130448
Schistosoma mansoni Lysine-specific histone demethylase 1 Get druggable targets OG5_130448 All targets in OG5_130448
Schistosoma japonicum ko:K00540 amine oxidase (flavin containing) domain 2 [EC:1.-.-.-], putative Get druggable targets OG5_130448 All targets in OG5_130448
Loa Loa (eye worm) hypothetical protein Get druggable targets OG5_130448 All targets in OG5_130448
Onchocerca volvulus Get druggable targets OG5_130448 All targets in OG5_130448
Schistosoma japonicum Lysine-specific histone demethylase 1, putative Get druggable targets OG5_130448 All targets in OG5_130448
Loa Loa (eye worm) hypothetical protein Get druggable targets OG5_130448 All targets in OG5_130448
Brugia malayi SWIRM domain containing protein Get druggable targets OG5_130448 All targets in OG5_130448
Echinococcus multilocularis lysine specific histone demethylase 1A Get druggable targets OG5_130448 All targets in OG5_130448

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
Echinococcus multilocularis lysine specific histone demethylase 1A 0.0083 0.8724 1
Schistosoma mansoni Lysine-specific histone demethylase 1 0.0083 0.8724 1
Loa Loa (eye worm) hypothetical protein 0.009 1 1
Echinococcus granulosus lysine specific histone demethylase 1A 0.0083 0.8724 1
Loa Loa (eye worm) hypothetical protein 0.0083 0.8724 0.8724
Loa Loa (eye worm) hypothetical protein 0.0083 0.8724 0.8724
Onchocerca volvulus 0.009 1 1

Activities

Activity type Activity value Assay description Source Reference
IC50 (functional) = 110 uM Growth inhibition of human LNCAP cells after 6 days ChEMBL. 21382717
Ki (binding) = 6.8 uM Inhibition of human recombinant His-tagged full length LSD1 expressed in Escherichia coli BL21 (DE3) assessed as inactivation constant preincubated for 20 mins with substrate measured after 30 mins by AmplexRed based fluorescence quenching assay ChEMBL. 21382717

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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