Detailed information for compound 266650

Basic information

Technical information
  • Name: Unnamed compound
  • MW: 434.594 | Formula: C26H30N2O2S
  • H donors: 1 H acceptors: 1 LogP: 5.9 Rotable bonds: 11
    Rule of 5 violations (Lipinski): 1
  • SMILES: COc1cc(CCN(/C(=N/CCc2ccccc2)/S)CCc2ccccc2)ccc1O
  • InChi: 1S/C26H30N2O2S/c1-30-25-20-23(12-13-24(25)29)16-19-28(18-15-22-10-6-3-7-11-22)26(31)27-17-14-21-8-4-2-5-9-21/h2-13,20,29H,14-19H2,1H3,(H,27,31)
  • InChiKey: SZGYIDHTAGPDDH-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 brucei glutaminyl cyclase, putative 0.0009 0 0.5
Trypanosoma cruzi glutaminyl cyclase, putative 0.0009 0 0.5
Onchocerca volvulus Glutaminyl cyclase homolog 0.0009 0 0.5
Onchocerca volvulus Fxna peptidase homolog 0.0009 0 0.5
Brugia malayi Peptidase family M28 containing protein 0.0009 0 0.5
Brugia malayi nicalin 0.0009 0 0.5
Loa Loa (eye worm) hypothetical protein 0.009 0.517 0.6401
Trichomonas vaginalis conserved hypothetical protein 0.0009 0 0.5
Echinococcus multilocularis n acetylated alpha linked acidic dipeptidase 2 0.0132 0.787 0.787
Brugia malayi leucyl aminopeptidase 0.0009 0 0.5
Leishmania major hypothetical protein, conserved 0.0009 0 0.5
Trypanosoma cruzi glutaminyl cyclase, putative 0.0009 0 0.5
Echinococcus multilocularis geminin 0.0165 1 1
Brugia malayi FXNA 0.0009 0 0.5
Trichomonas vaginalis conserved hypothetical protein 0.0009 0 0.5
Schistosoma mansoni hypothetical protein 0.0165 1 1
Onchocerca volvulus Fxna peptidase homolog 0.0009 0 0.5
Loa Loa (eye worm) hypothetical protein 0.0123 0.7309 0.905
Loa Loa (eye worm) hypothetical protein 0.0135 0.8076 1
Schistosoma mansoni NAALADASE L peptidase (M28 family) 0.0086 0.4964 0.4964
Leishmania major glutaminyl cyclase, putative 0.0009 0 0.5
Schistosoma mansoni hypothetical protein 0.0165 1 1
Toxoplasma gondii peptidase, M28 family protein 0.0009 0 0.5
Trichomonas vaginalis conserved hypothetical protein 0.0009 0 0.5
Trichomonas vaginalis Clan MH, family M28, aminopeptidase S-like metallopeptidase 0.0009 0 0.5
Mycobacterium ulcerans lipoprotein aminopeptidase LpqL 0.0012 0.0206 1
Onchocerca volvulus 0.0009 0 0.5
Toxoplasma gondii hypothetical protein 0.0009 0 0.5
Onchocerca volvulus Fxna peptidase homolog 0.0009 0 0.5
Mycobacterium tuberculosis Probable lipoprotein aminopeptidase LpqL 0.0012 0.0206 1

Activities

Activity type Activity value Assay description Source Reference
EC50 (functional) 0 uM Agonist activity towards vanilloid receptor was tested in [Ca2+] influx assay by using neonatal rat culture spinal sensory neurons (NE=Not effective at 30 uM) ChEMBL. 12639539
IC50 (functional) 0 uM Antagonistic activity against vanilloid receptor, reduced capsaicin-induced [Ca2+] influx in neonatal rat spinal sensory neuronal cultures (ineffective at 30 uM) ChEMBL. 12639539

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.

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