Detailed information for compound 1840995

Basic information

Technical information
  • Name: Unnamed compound
  • MW: 313.414 | Formula: C18H19NO2S
  • H donors: 1 H acceptors: 2 LogP: 3.34 Rotable bonds: 7
    Rule of 5 violations (Lipinski): 1
  • SMILES: SCCNC(=O)C(c1cccc(c1)C(=O)c1ccccc1)C
  • InChi: 1S/C18H19NO2S/c1-13(18(21)19-10-11-22)15-8-5-9-16(12-15)17(20)14-6-3-2-4-7-14/h2-9,12-13,22H,10-11H2,1H3,(H,19,21)
  • InChiKey: OTWNYYYRLPDMRK-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
Echinococcus granulosus membrane bound acyltransferase:hhat 0.0557 0.0696 0.0693
Leishmania major glycerol uptake protein, putative 0.0557 0.0696 0.5
Loa Loa (eye worm) hypothetical protein 0.0557 0.0696 0.0696
Echinococcus multilocularis o acyltransferase (membrane bound) domain 0.0557 0.0696 0.0693
Loa Loa (eye worm) diacylglycerol acyltransferase 0.0557 0.0696 0.0696
Echinococcus granulosus protein cysteine N palmitoyltransferase 0.6468 1 1
Toxoplasma gondii acyl-CoA:diacylglycerol acyltransferase 1-related enzyme 0.0557 0.0696 0.5
Brugia malayi Hhat protein 0.0557 0.0696 0.0696
Echinococcus granulosus zinc finger protein 0.591 0.9123 0.9122
Brugia malayi MBOAT family protein 0.0557 0.0696 0.0696
Loa Loa (eye worm) MBOAT family protein 0.0557 0.0696 0.0696
Schistosoma mansoni o-acyltransferase (membrane bound) domain containing protein 0.0557 0.0696 0.0641
Loa Loa (eye worm) MBOAT family protein 0.0557 0.0696 0.0696
Trichomonas vaginalis porcupine, putative 0.0557 0.0696 0.5
Echinococcus granulosus diacylglycerol O acyltransferase 1 0.0557 0.0696 0.0693
Trypanosoma cruzi glycerol uptake protein, putative 0.0557 0.0696 0.5
Echinococcus granulosus o acyltransferase membrane bound domain 0.0557 0.0696 0.0693
Echinococcus multilocularis Membrane bound O acyl transferase, MBOAT 0.0557 0.0696 0.0693
Schistosoma mansoni zinc finger protein 0.6468 1 1
Trichomonas vaginalis conserved hypothetical protein 0.0557 0.0696 0.5
Leishmania major hypothetical protein, conserved 0.0557 0.0696 0.5
Echinococcus multilocularis protein cysteine N palmitoyltransferase 0.6468 1 1
Echinococcus granulosus o acyltransferase membrane bound domain 0.0557 0.0696 0.0693
Plasmodium vivax diacylglycerol O-acyltransferase, putative 0.0557 0.0696 0.5
Echinococcus granulosus integrin beta 2 0.0232 0.0183 0.018
Loa Loa (eye worm) hypothetical protein 0.0557 0.0696 0.0696
Brugia malayi MBOAT family protein 0.0557 0.0696 0.0696
Schistosoma mansoni o-acyltransferase (membrane bound) domain containing protein 0.0557 0.0696 0.0641
Leishmania major glycerol uptake protein, putative 0.0557 0.0696 0.5
Entamoeba histolytica membrane-bound O-acyltransferase (MBOAT ) family protein 0.0557 0.0696 0.5
Trypanosoma cruzi glycerol uptake protein, putative 0.0557 0.0696 0.5
Trichomonas vaginalis transmembrane protein nessy, putative 0.0557 0.0696 0.5
Echinococcus multilocularis diacylglycerol O acyltransferase 1 0.0557 0.0696 0.0693
Trypanosoma cruzi GUP1, putative 0.0557 0.0696 0.5
Trichomonas vaginalis conserved hypothetical protein 0.0557 0.0696 0.5
Echinococcus multilocularis membrane bound acyltransferase:hhat 0.0557 0.0696 0.0693
Loa Loa (eye worm) integrin alpha pat-2 0.0235 0.0189 0.0189
Treponema pallidum alginate O-acetylation protein (algI) 0.0557 0.0696 0.5
Entamoeba histolytica vacuolar protein sorting 26 0.0557 0.0696 0.5
Toxoplasma gondii hypothetical protein 0.0557 0.0696 0.5
Loa Loa (eye worm) hhat protein 0.0557 0.0696 0.0696
Brugia malayi Integrin beta pat-3 precursor 0.0313 0.031 0.031
Trypanosoma cruzi glycerol uptake protein, putative 0.0557 0.0696 0.5
Leishmania major glycerol uptake protein, putative 0.0557 0.0696 0.5
Loa Loa (eye worm) hypothetical protein 0.0557 0.0696 0.0696
Loa Loa (eye worm) MBOAT family protein 0.6468 1 1
Trypanosoma cruzi GUP1, putative 0.0557 0.0696 0.5
Echinococcus granulosus o acyltransferase membrane bound domain 0.0557 0.0696 0.0693
Loa Loa (eye worm) hypothetical protein 0.012 0.0007 0.0007
Loa Loa (eye worm) hhat protein 0.0557 0.0696 0.0696
Echinococcus granulosus sterol O acyltransferase 1 0.0557 0.0696 0.0693
Loa Loa (eye worm) integrin beta-2 0.0313 0.031 0.031
Trypanosoma brucei glycerol uptake protein, putative 0.0557 0.0696 0.5
Echinococcus multilocularis lysophospholipid acyltransferase 7 0.0557 0.0696 0.0693
Entamoeba histolytica membrane-bound O-acyltransferase (MBOAT ) family protein 0.0557 0.0696 0.5
Schistosoma mansoni leukocyte receptor cluster (lrc) member 4 protein 0.0557 0.0696 0.0641
Trichomonas vaginalis conserved hypothetical protein 0.0557 0.0696 0.5
Loa Loa (eye worm) membrane bound O-acyltransferase domain containing 1 0.0557 0.0696 0.0696
Schistosoma mansoni sterol O-acyltransferase 1 0.0557 0.0696 0.0641
Brugia malayi MBOAT family protein 0.0557 0.0696 0.0696
Entamoeba histolytica membrane-bound O-acyltransferase (MBOAT ) family protein 0.0557 0.0696 0.5
Brugia malayi diacylglycerol acyltransferase 0.0557 0.0696 0.0696
Entamoeba histolytica hypothetical protein, conserved 0.0557 0.0696 0.5
Schistosoma mansoni membrane-bound acyltransferase/hhat 0.0557 0.0696 0.0641
Brugia malayi MBOAT family protein 0.0557 0.0696 0.0696
Schistosoma mansoni diacylglycerol O-acyltransferase 1 0.0557 0.0696 0.0641
Onchocerca volvulus 0.0557 0.0696 0.5
Leishmania major glycerol uptake protein, putative 0.0557 0.0696 0.5
Brugia malayi Integrin alpha pat-2 precursor 0.0153 0.0059 0.0059
Echinococcus multilocularis zinc finger protein 0.591 0.9123 0.9122
Echinococcus multilocularis integrin beta 2 0.0232 0.0183 0.018
Entamoeba histolytica hypothetical protein 0.0557 0.0696 0.5
Loa Loa (eye worm) hypothetical protein 0.0557 0.0696 0.0696
Trypanosoma brucei glycerol uptake protein, putative 0.0557 0.0696 0.5
Schistosoma mansoni hypothetical protein 0.0557 0.0696 0.0641
Echinococcus multilocularis o acyltransferase (membrane bound) domain 0.0557 0.0696 0.0693
Schistosoma mansoni o-acyltransferase (membrane bound) domain containing protein 0.0557 0.0696 0.0641
Echinococcus multilocularis sterol O acyltransferase 1 0.0557 0.0696 0.0693
Echinococcus granulosus Membrane bound O acyl transferase MBOAT 0.0557 0.0696 0.0693
Plasmodium falciparum diacylglycerol O-acyltransferase 0.0557 0.0696 0.5
Echinococcus granulosus lysophospholipid acyltransferase 7 0.0557 0.0696 0.0693
Toxoplasma gondii acyl-CoA:cholesterol acyltransferase alpha ACAT1-alpha 0.0557 0.0696 0.5
Leishmania major glycerol uptake protein, putative 0.0557 0.0696 0.5
Echinococcus multilocularis o acyltransferase (membrane bound) domain 0.0557 0.0696 0.0693
Schistosoma mansoni integrin beta subunit 0.0184 0.0108 0.005

Activities

No activities found for this compound.

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.
 
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External resources for this compound

Bibliographic References

No literature references available for this target.

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