Detailed information for compound 1686947

Basic information

Technical information
  • Name: Unnamed compound
  • MW: 293.385 | Formula: C14H19N3O2S
  • H donors: 1 H acceptors: 3 LogP: 1.75 Rotable bonds: 5
    Rule of 5 violations (Lipinski): 1
  • SMILES: CC(N(c1cccc(c1)S(=O)(=O)C)Cc1c[nH]cn1)C
  • InChi: 1S/C14H19N3O2S/c1-11(2)17(9-12-8-15-10-16-12)13-5-4-6-14(7-13)20(3,18)19/h4-8,10-11H,9H2,1-3H3,(H,15,16)
  • InChiKey: IKJOTFHMLKRHPF-UHFFFAOYSA-N  


Substructure search Similarity search

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 trace amine associated receptor 1 Starlite/ChEMBL References

Predicted pathogen targets for this compound

By orthology
No druggable targets predicted by orthology data
By sequence similarity to non orthologous known druggable targets
Species Potential target Known druggable target Length Alignment span Identity
Echinococcus multilocularis sex peptide receptor trace amine associated receptor 1 339 aa 281 aa 17.1 %
Obtained from network model

Ranking Plot

Putative Targets List

Species Potential target Raw Global Species
Giardia lamblia Hypothetical protein 0.0019 1 0.5
Toxoplasma gondii hypothetical protein 0.0015 0 0.5
Loa Loa (eye worm) cyclin domain-containing protein 0.0019 1 0.5
Schistosoma mansoni cyclin B 0.0019 1 0.5
Echinococcus multilocularis cyclins 0.0019 1 0.5
Schistosoma mansoni cyclins 0.0019 1 0.5
Echinococcus multilocularis cyclins 0.0019 1 0.5
Trichomonas vaginalis cyclin B, putative 0.0019 1 0.5
Trypanosoma cruzi cyclin, putative 0.0019 1 0.5
Trichomonas vaginalis cyclins, putative 0.0019 1 0.5
Trichomonas vaginalis cyclin B, putative 0.0019 1 0.5
Trichomonas vaginalis cyclins, putative 0.0019 1 0.5
Loa Loa (eye worm) hypothetical protein 0.0019 1 0.5
Echinococcus granulosus cyclin b3 0.0019 1 0.5
Entamoeba histolytica cyclin family protein 0.0019 1 0.5
Trichomonas vaginalis cyclin D, putative 0.0019 1 0.5
Plasmodium falciparum cyclin 0.0019 1 0.5
Entamoeba histolytica cyclin, putative 0.0019 1 0.5
Echinococcus granulosus cyclins 0.0019 1 0.5
Entamoeba histolytica cyclin, putative 0.0019 1 0.5
Trichomonas vaginalis conserved hypothetical protein 0.0019 1 0.5
Trichomonas vaginalis cyclins, putative 0.0019 1 0.5
Trichomonas vaginalis cyclin B, putative 0.0019 1 0.5
Giardia lamblia Cyclin A 0.0019 1 0.5
Leishmania major cyclin 0.0019 1 0.5
Trichomonas vaginalis cyclin B, putative 0.0019 1 0.5
Entamoeba histolytica cyclin family protein 0.0019 1 0.5
Echinococcus granulosus cyclins 0.0019 1 0.5
Trichomonas vaginalis cyclin D, putative 0.0019 1 0.5
Brugia malayi Cyclin, N-terminal domain containing protein 0.0019 1 0.5
Trypanosoma cruzi cyclin, putative 0.0019 1 0.5
Echinococcus multilocularis G2:mitotic specific cyclin B3 0.0019 1 0.5
Echinococcus granulosus G2:mitotic specific cyclin B3 0.0019 1 0.5
Echinococcus granulosus cyclins 0.0019 1 0.5
Echinococcus multilocularis cyclins 0.0019 1 0.5
Trichomonas vaginalis cyclin B, putative 0.0019 1 0.5
Echinococcus granulosus cyclin B 0.0019 1 0.5
Brugia malayi Cyclin, N-terminal domain containing protein 0.0019 1 0.5
Echinococcus multilocularis cyclins 0.0019 1 0.5
Echinococcus granulosus cyclin B3 1 0.0019 1 0.5
Loa Loa (eye worm) hypothetical protein 0.0019 1 0.5
Echinococcus granulosus cyclins 0.0019 1 0.5
Echinococcus multilocularis cyclins 0.0019 1 0.5
Giardia lamblia G2/mitotic-specific cyclin B 0.0019 1 0.5
Trichomonas vaginalis cyclins, putative 0.0019 1 0.5
Trypanosoma cruzi CYC2-like cyclin, putative 0.0019 1 0.5
Trichomonas vaginalis cyclins, putative 0.0019 1 0.5
Trypanosoma brucei mitotic cyclin 6 0.0019 1 0.5
Echinococcus multilocularis cyclin B 0.0019 1 0.5
Echinococcus multilocularis cyclin b3 0.0019 1 0.5
Echinococcus multilocularis cyclins 0.0019 1 0.5
Trichomonas vaginalis cyclin B3, putative 0.0019 1 0.5
Echinococcus granulosus cyclins 0.0019 1 0.5
Leishmania major CYC2-like cyclin, putative,cyclin 6, putative 0.0019 1 0.5
Schistosoma mansoni cyclin B3 0.0019 1 0.5
Echinococcus multilocularis cyclins 0.0019 1 0.5
Echinococcus multilocularis cyclin B3 1 0.0019 1 0.5
Onchocerca volvulus 0.0019 1 0.5
Trichomonas vaginalis cyclin A, putative 0.0019 1 0.5
Trypanosoma cruzi cyclin 6, putative 0.0019 1 0.5

Activities

Activity type Activity value Assay description Source Reference
Ki (binding) = 128 nM Displacement of (S)-4-(2,4-difluorophenyl-3-tritio) -4,5-dihydro-2-oxazolamine from human TAAR1 receptor expressed in HEK293 cells after 90 mins by beta counting analysis ChEMBL. 22795332

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.

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