Detailed information for compound 1495036

Basic information

Technical information
  • TDR Targets ID: 1495036
  • Name: T5326406
  • MW: 339.797 | Formula: C14H14ClN3O3S
  • H donors: 2 H acceptors: 4 LogP: 1.31 Rotable bonds: 6
    Rule of 5 violations (Lipinski): 1
  • SMILES: O=C(c1ccc(c(c1)S(=O)(=O)N)Cl)NCCc1ccccn1
  • InChi: 1S/C14H14ClN3O3S/c15-12-5-4-10(9-13(12)22(16,20)21)14(19)18-8-6-11-3-1-2-7-17-11/h1-5,7,9H,6,8H2,(H,18,19)(H2,16,20,21)
  • InChiKey: HEFVKCPGKIRCKH-UHFFFAOYSA-N  


Substructure search Similarity search

Network

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Synonyms

  • MLS000761174
  • SMR000365299

Targets

Known targets for this compound

Species Target name Source Bibliographic reference
Homo sapiens euchromatic histone-lysine N-methyltransferase 2 Starlite/ChEMBL No references

Predicted pathogen targets for this compound

By orthology
Species Potential target Known druggable target/s Ortholog Group
Trichomonas vaginalis set domain proteins, putative Get druggable targets OG5_131470 All targets in OG5_131470
Loa Loa (eye worm) pre-SET domain-containing protein family protein Get druggable targets OG5_131470 All targets in OG5_131470
Onchocerca volvulus Get druggable targets OG5_131470 All targets in OG5_131470
Brugia malayi Pre-SET motif family protein Get druggable targets OG5_131470 All targets in OG5_131470
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) ryanodine receptor 0.0188 0.2918 0.4938
Trypanosoma brucei inositol 1,4,5-trisphosphate receptor 0.0181 0.2771 0.5
Schistosoma mansoni inositol 145-trisphosphate receptor 0.0154 0.2151 0.2151
Loa Loa (eye worm) pre-SET domain-containing protein family protein 0.0251 0.4353 0.7429
Schistosoma mansoni hypothetical protein 0.0124 0.1483 0.1483
Trypanosoma cruzi inositol 1,4,5-trisphosphate receptor, putative 0.0181 0.2771 0.5
Brugia malayi Pre-SET motif family protein 0.0251 0.4353 0.1275
Echinococcus multilocularis ryanodine receptor 44f 0.0407 0.7849 1
Echinococcus granulosus ryanodine receptor 44f 0.0407 0.7849 1
Loa Loa (eye worm) hypothetical protein 0.0096 0.0846 0.1344
Trichomonas vaginalis set domain proteins, putative 0.0286 0.5135 0.5
Loa Loa (eye worm) hypothetical protein 0.0317 0.5835 1
Loa Loa (eye worm) ryanodine receptor 0.0119 0.1363 0.224
Schistosoma mansoni inositol 145-trisphosphate receptor 0.0061 0.0072 0.0072
Onchocerca volvulus 0.0286 0.5135 0.5
Schistosoma mansoni ryanodine receptor related 0.0502 1 1
Loa Loa (eye worm) hypothetical protein 0.0092 0.0757 0.1189
Leishmania major hypothetical protein, conserved 0.0123 0.1466 0.5

Activities

Activity type Activity value Assay description Source Reference
Potency (functional) 1.7783 uM PUBCHEM_BIOASSAY: qHTS Assay for Inhibitors of Histone Lysine Methyltransferase G9a. (Class of assay: confirmatory) [Related pubchem assays (depositor defined):AID504404] ChEMBL. No reference
Potency (functional) 125.8925 uM PubChem BioAssay. qHTS of PTHR Inhibitors: 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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