Detailed information for compound 176977

Basic information

Technical information
  • Name: Unnamed compound
  • MW: 370.55 | Formula: C19H34N2O3S
  • H donors: 2 H acceptors: 3 LogP: 3.49 Rotable bonds: 13
    Rule of 5 violations (Lipinski): 1
  • SMILES: CCCCCCN(CCCC(c1ccc(cc1)NS(=O)(=O)C)O)CC
  • InChi: 1S/C19H34N2O3S/c1-4-6-7-8-15-21(5-2)16-9-10-19(22)17-11-13-18(14-12-17)20-25(3,23)24/h11-14,19-20,22H,4-10,15-16H2,1-3H3
  • InChiKey: LUTUXFRCHQZLGI-UHFFFAOYSA-N  


Substructure search Similarity search

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
Loa Loa (eye worm) hypothetical protein 0.0198 0.4582 0.4582
Echinococcus granulosus semaphorin 5B 0.0142 0.3101 0.2348
Trichomonas vaginalis Clan MA, family M8, leishmanolysin-like metallopeptidase 0.0062 0.0984 0.5
Leishmania major hypothetical protein, conserved 0.0025 0 0.5
Brugia malayi Sema domain containing protein 0.0142 0.3101 0.3101
Echinococcus multilocularis semaphorin 5B 0.0142 0.3101 0.2348
Schistosoma mansoni hypothetical protein 0.0169 0.3813 0.3841
Trichomonas vaginalis Clan MA, family M8, leishmanolysin-like metallopeptidase 0.0062 0.0984 0.5
Schistosoma mansoni hypothetical protein 0.0169 0.3813 0.3841
Trypanosoma cruzi PAB1-binding protein , putative 0.0025 0 0.5
Loa Loa (eye worm) sema domain-containing protein 0.0142 0.3101 0.3101
Loa Loa (eye worm) hypothetical protein 0.0151 0.3328 0.3328
Schistosoma mansoni hypothetical protein 0.0142 0.3101 0.2874
Brugia malayi IPT/TIG domain containing protein 0.0062 0.0984 0.0984
Loa Loa (eye worm) hypothetical protein 0.0142 0.3101 0.3101
Loa Loa (eye worm) hypothetical protein 0.0142 0.3101 0.3101
Schistosoma mansoni hypothetical protein 0.0142 0.3101 0.2874
Trichomonas vaginalis conserved hypothetical protein 0.0062 0.0984 0.5
Plasmodium falciparum ataxin-2 like protein, putative 0.0025 0 0.5
Trichomonas vaginalis Clan MA, family M8, leishmanolysin-like metallopeptidase 0.0062 0.0984 0.5
Trichomonas vaginalis conserved hypothetical protein 0.0062 0.0984 0.5
Loa Loa (eye worm) hypothetical protein 0.0142 0.3101 0.3101
Echinococcus granulosus semaphorin 1A 0.0142 0.3101 0.2348
Echinococcus granulosus plexin a4 0.0402 1 1
Trichomonas vaginalis Clan MA, family M8, leishmanolysin-like metallopeptidase 0.0062 0.0984 0.5
Plasmodium vivax ataxin-2 like protein, putative 0.0025 0 0.5
Onchocerca volvulus 0.0151 0.3328 0.0434
Brugia malayi Sema domain containing protein 0.0142 0.3101 0.3101
Trichomonas vaginalis conserved hypothetical protein 0.0062 0.0984 0.5
Brugia malayi Plexin repeat family protein 0.034 0.8349 0.8349
Trichomonas vaginalis Clan MA, family M8, leishmanolysin-like metallopeptidase 0.0062 0.0984 0.5
Echinococcus multilocularis geminin 0.0169 0.3813 0.3138
Brugia malayi DNA-binding protein LAG-1 0.0062 0.0984 0.0984
Trichomonas vaginalis conserved hypothetical protein 0.0062 0.0984 0.5
Loa Loa (eye worm) plexin A 0.0402 1 1
Loa Loa (eye worm) hypothetical protein 0.0142 0.3101 0.3101
Trypanosoma brucei PAB1-binding protein , putative 0.0025 0 0.5
Schistosoma mansoni plexin 0.034 0.8349 1
Schistosoma mansoni hypothetical protein 0.0198 0.4582 0.4885
Entamoeba histolytica protein kinase domain containing protein 0.0079 0.1425 1
Plasmodium falciparum ataxin-2 like protein, putative 0.0025 0 0.5
Loa Loa (eye worm) hypothetical protein 0.0062 0.0984 0.0984
Trichomonas vaginalis conserved hypothetical protein 0.0062 0.0984 0.5
Echinococcus multilocularis plexin a4 0.0402 1 1
Loa Loa (eye worm) sema domain-containing protein 0.0142 0.3101 0.3101
Toxoplasma gondii LsmAD domain-containing protein 0.0025 0 0.5
Entamoeba histolytica tyrosin kinase, putative 0.0079 0.1425 1
Trypanosoma cruzi PAB1-binding protein , putative 0.0025 0 0.5
Loa Loa (eye worm) hypothetical protein 0.0142 0.3101 0.3101
Brugia malayi hypothetical protein 0.0142 0.3101 0.3101
Onchocerca volvulus 0.034 0.8349 1
Brugia malayi hypothetical protein 0.0151 0.3328 0.3328
Trichomonas vaginalis conserved hypothetical protein 0.0062 0.0984 0.5
Loa Loa (eye worm) hypothetical protein 0.034 0.8349 0.8349
Echinococcus granulosus geminin 0.0169 0.3813 0.3138
Trichomonas vaginalis conserved hypothetical protein 0.0062 0.0984 0.5
Brugia malayi hypothetical protein 0.0142 0.3101 0.3101
Loa Loa (eye worm) hypothetical protein 0.0142 0.3101 0.3101
Schistosoma mansoni plexin 0.0198 0.4582 0.4885
Loa Loa (eye worm) hypothetical protein 0.0062 0.0984 0.0984
Echinococcus multilocularis hypothetical protein 0.0142 0.3101 0.2348
Loa Loa (eye worm) hypothetical protein 0.0062 0.0984 0.0984
Schistosoma mansoni semaphorin 5-related 0.0142 0.3101 0.2874
Brugia malayi Probable exocyst complex component Sec5 0.0062 0.0984 0.0984
Loa Loa (eye worm) hypothetical protein 0.0062 0.0984 0.0984

Activities

Activity type Activity value Assay description Source Reference
CT1 (functional) = -6.5 Tested for conduction time measured at a pacing rate of 1 Hz in vitro with rabbit heart tissue preparations. ChEMBL. 1992131
CT3 (functional) = 0 Tested for conduction time measured at a pacing rate of 3 Hz in vitro with rabbit heart tissue preparations. ChEMBL. 1992131
ERP1 (functional) = 12.1 Tested for effective refractory period measured at a pacing rate of 1 Hz in vitro with rabbit heart tissue preparations. ChEMBL. 1992131
ERP3 (functional) = 7.8 Tested for effective refractory period measured at a pacing rate of 3 Hz in vitro with rabbit heart tissue preparations. ChEMBL. 1992131
FOC (functional) = -10.9 Tested for force of contraction measured in milligrams at a pacing rate of 2 Hz in vitro with rabbit heart tissue preparations. ChEMBL. 1992131
Rate (functional) = -16 Tested for rate automaticity measured in beats per minute from unpaced right atria of rabbit heart. ChEMBL. 1992131

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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