Detailed information for compound 43672

Basic information

Technical information
  • Name: Unnamed compound
  • MW: 443.599 | Formula: C25H33NO4S
  • H donors: 3 H acceptors: 4 LogP: 7.3 Rotable bonds: 16
    Rule of 5 violations (Lipinski): 1
  • SMILES: OC(=O)c1ccc(cc1)NCCCCCCCCCCCSc1ccc(cc1)C(=O)O
  • InChi: 1S/C25H33NO4S/c27-24(28)20-10-14-22(15-11-20)26-18-8-6-4-2-1-3-5-7-9-19-31-23-16-12-21(13-17-23)25(29)30/h10-17,26H,1-9,18-19H2,(H,27,28)(H,29,30)
  • InChiKey: CYOGWQVCDGDMQJ-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
Schistosoma mansoni shk1 kinase-binding protein 0.0064 0.0627 0.3191
Brugia malayi SET domain containing protein 0.0091 0.1092 0.1092
Loa Loa (eye worm) hypothetical protein 0.0129 0.1725 0.1725
Onchocerca volvulus 0.0119 0.1556 1
Loa Loa (eye worm) Skb1 methyltransferase 0.0064 0.0627 0.0627
Plasmodium falciparum DNA (cytosine-5)-methyltransferase 0.0143 0.1964 0.4025
Toxoplasma gondii hypothetical protein 0.0261 0.395 1
Toxoplasma gondii histone arginine methyltransferase PRMT5 0.0064 0.0627 0.1587
Loa Loa (eye worm) SET domain-containing protein 0.0091 0.1092 0.1092
Echinococcus granulosus disco interacting protein 2 0.0119 0.1556 0.3446
Echinococcus granulosus protein arginine N methyltransferase 5 0.0064 0.0627 0.1388
Echinococcus granulosus histone h3 methyltransferase 0.0129 0.1725 0.3821
Schistosoma mansoni disco-interacting protein 2 (dip2) 0.0119 0.1556 0.792
Entamoeba histolytica Skb1 methyltransferase, putative 0.0064 0.0627 0.3191
Loa Loa (eye worm) hypothetical protein 0.0621 1 1
Echinococcus multilocularis histone lysine N methyltransferase E(z) 0.0091 0.1092 0.5559
Schistosoma mansoni cpg binding protein 0.0103 0.1296 0.6595
Brugia malayi Disco-interacting protein 2 homolog 0.0119 0.1556 0.1556
Schistosoma mansoni SET domain protein 0.0028 0.0024 0.0121
Echinococcus granulosus cpg binding protein 0.0103 0.1296 0.2869
Loa Loa (eye worm) hypothetical protein 0.0621 1 1
Schistosoma mansoni enhancer of zeste ezh 0.0091 0.1092 0.5559
Echinococcus granulosus probable protein arginine n-methyltransferase 0.0295 0.4515 1
Plasmodium falciparum conserved Plasmodium protein, unknown function 0.0261 0.395 1
Entamoeba histolytica DNA (cytosine-5)-methyltransferase, putative 0.0143 0.1964 1
Echinococcus multilocularis histone lysine N methyltransferase, H3 lysine 36 0.0028 0.0024 0.0121
Loa Loa (eye worm) NNMT/PNMT/TEMT family protein 0.0621 1 1
Onchocerca volvulus 0.0103 0.1296 0.8326
Echinococcus multilocularis protein arginine N methyltransferase 5 0.0064 0.0627 0.3191
Trypanosoma brucei cytosine-specific DNA methylase, putative 0.0143 0.1964 1
Echinococcus multilocularis DNA methyltransferase 2, putative 0.0143 0.1964 1
Trichomonas vaginalis shk1 kinase-binding protein, putative 0.0041 0.0242 0.5
Leishmania major modification methylase-like protein 0.0143 0.1964 1
Echinococcus granulosus DNA methyltransferase 2, putative 0.0143 0.1964 0.4351
Trypanosoma cruzi arginine N-methyltransferase, type II, putative 0.0041 0.0242 1
Toxoplasma gondii C-5 cytosine-specific DNA methylase superfamily protein 0.0143 0.1964 0.4974
Echinococcus multilocularis disco interacting protein 2 0.0119 0.1556 0.792
Loa Loa (eye worm) hypothetical protein 0.0119 0.1556 0.1556
Schistosoma mansoni DNA (cytosine-5)-methyltransferase 0.0143 0.1964 1
Brugia malayi CXXC zinc finger family protein 0.0103 0.1296 0.1296
Brugia malayi Histone-lysine N-methyltransferase, H3 lysine-79 specific 0.0129 0.1725 0.1725
Trichomonas vaginalis shk1 kinase-binding protein, putative 0.0041 0.0242 0.5
Echinococcus granulosus histone lysine N methyltransferase H3 lysine 36 0.0028 0.0024 0.0053
Trypanosoma brucei arginine N-methyltransferase, type II 0.0041 0.0242 0.1231
Schistosoma mansoni cpg binding protein 0.0103 0.1296 0.6595
Toxoplasma gondii DNA methyltransferase 2, putative 0.0143 0.1964 0.4974
Schistosoma mansoni cpg binding protein 0.0103 0.1296 0.6595
Leishmania major arginine N-methyltransferase, type II, putative;with=GeneDB:Tb927.10.640 0.0041 0.0242 0.1231
Loa Loa (eye worm) CXXC zinc finger family protein 0.0103 0.1296 0.1296
Echinococcus granulosus histone lysine N methyltransferase Ez 0.0091 0.1092 0.2418
Echinococcus multilocularis histone h3 methyltransferase 0.0129 0.1725 0.8782
Schistosoma mansoni histone J3 methyltransferase 0.0129 0.1725 0.8782
Echinococcus multilocularis cpg binding protein 0.0103 0.1296 0.6595
Plasmodium vivax DNA (cytosine-5)-methyltransferase, putative 0.0143 0.1964 1
Brugia malayi Skb1 methyltransferase family protein 0.0064 0.0627 0.0627

Activities

Activity type Activity value Assay description Source Reference
Diet (functional) = 78 % In vivo Triglyceride lowering activity at a dose of 0.10 % of the diet ChEMBL. 6604818
Diet (functional) = 92 % In vivo Triglyceride lowering activity at dose as 0.03 % of the diet ChEMBL. 6604818
Diet (functional) = 98 % In vivo sterol lowering activity at dose of 0.10 % of the diet ChEMBL. 6604818
Diet (functional) = 104 % In vivo sterol lowering activity, dosed as 0.03 % of the diet ChEMBL. 6604818
Inhibition (binding) < 29 % In vitro inhibitory activity against acyl coenzyme A:cholesterol acyltransferase ChEMBL. 6604818
Inhibition (binding) < 29 % In vitro inhibitory activity against acyl coenzyme A:cholesterol acyltransferase ChEMBL. 6604818

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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