Detailed information for compound 41832

Basic information

Technical information
  • Name: Unnamed compound
  • MW: 540.734 | Formula: C32H48N2O5
  • H donors: 2 H acceptors: 4 LogP: 9.37 Rotable bonds: 24
    Rule of 5 violations (Lipinski): 2
  • SMILES: CCCCCCCCCCCCCCCCNc1ccc(cc1)C(=O)OCC(COC(=O)c1cccnc1)O
  • InChi: 1S/C32H48N2O5/c1-2-3-4-5-6-7-8-9-10-11-12-13-14-15-23-34-29-20-18-27(19-21-29)31(36)38-25-30(35)26-39-32(37)28-17-16-22-33-24-28/h16-22,24,30,34-35H,2-15,23,25-26H2,1H3
  • InChiKey: UPAILVWKCRZELX-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
Trichomonas vaginalis conserved hypothetical protein 0.0042 0.1931 0.2714
Trichomonas vaginalis chromobox protein, putative 0.0076 0.7115 1
Leishmania major trypanothione reductase 0.0094 1 1
Giardia lamblia NADH oxidase lateral transfer candidate 0.0054 0.3687 0.5
Brugia malayi Thioredoxin reductase 0.0094 1 1
Brugia malayi chromobox protein homolog 3 0.0042 0.1931 0.1251
Echinococcus granulosus dihydrolipoamide dehydrogenase 0.0054 0.3687 0.3155
Mycobacterium leprae DIHYDROLIPOAMIDE DEHYDROGENASE LPD (LIPOAMIDE REDUCTASE (NADH)) (LIPOYL DEHYDROGENASE) (DIHYDROLIPOYL DEHYDROGENASE) (DIAPHORASE 0.0054 0.3687 0.5
Echinococcus granulosus chromobox protein 1 0.0076 0.7115 0.6872
Trichomonas vaginalis chromobox protein, putative 0.0076 0.7115 1
Trichomonas vaginalis conserved hypothetical protein 0.0042 0.1931 0.2714
Plasmodium falciparum thioredoxin reductase 0.0094 1 1
Loa Loa (eye worm) hypothetical protein 0.0042 0.1931 0.1504
Brugia malayi alpha keto acid dehydrogenase complex, E3 component, lipoamide dehydrogenase 0.0039 0.1466 0.0747
Chlamydia trachomatis dihydrolipoyl dehydrogenase 0.0054 0.3687 0.5
Echinococcus multilocularis thioredoxin glutathione reductase 0.0094 1 1
Plasmodium falciparum glutathione reductase 0.0094 1 1
Plasmodium vivax glutathione reductase, putative 0.0094 1 1
Loa Loa (eye worm) heterochromatin protein 1 0.0076 0.7115 0.6963
Loa Loa (eye worm) glutathione reductase 0.0094 1 1
Mycobacterium ulcerans flavoprotein disulfide reductase 0.0054 0.3687 0.5
Plasmodium vivax thioredoxin reductase, putative 0.0094 1 1
Schistosoma mansoni chromobox protein 0.0076 0.7115 0.6872
Treponema pallidum NADH oxidase 0.0054 0.3687 0.5
Trichomonas vaginalis chromobox protein, putative 0.0046 0.2433 0.3419
Loa Loa (eye worm) thioredoxin reductase 0.0094 1 1
Entamoeba histolytica hypothetical protein 0.0035 0.0777 0.5
Schistosoma mansoni chromobox protein 0.0076 0.7115 0.6872
Wolbachia endosymbiont of Brugia malayi dihydrolipoamide dehydrogenase E3 component 0.0054 0.3687 0.5
Entamoeba histolytica hypothetical protein 0.0035 0.0777 0.5
Wolbachia endosymbiont of Brugia malayi dihydrolipoamide dehydrogenase E3 component 0.0054 0.3687 0.5
Mycobacterium ulcerans dihydrolipoamide dehydrogenase 0.0054 0.3687 0.5
Echinococcus granulosus thioredoxin glutathione reductase 0.0094 1 1
Trypanosoma brucei trypanothione reductase 0.0094 1 1
Trichomonas vaginalis mercuric reductase, putative 0.0054 0.3687 0.5182
Trichomonas vaginalis glutathione reductase, putative 0.0054 0.3687 0.5182
Echinococcus granulosus chromobox protein 1 0.0076 0.7115 0.6872
Schistosoma mansoni dihydrolipoamide dehydrogenase 0.0054 0.3687 0.3155
Onchocerca volvulus Heterochromatin protein 1 homolog 0.0046 0.2433 1
Brugia malayi Pyridine nucleotide-disulphide oxidoreductase, dimerisation domain containing protein 0.0039 0.1466 0.0747
Echinococcus multilocularis chromobox protein 1 0.0076 0.7115 0.6872
Toxoplasma gondii thioredoxin reductase 0.0094 1 1
Entamoeba histolytica hypothetical protein 0.0035 0.0777 0.5
Echinococcus multilocularis chromobox protein 1 0.0076 0.7115 0.6872
Onchocerca volvulus Heterochromatin protein 1 homolog 0.0042 0.1931 0.7399
Mycobacterium ulcerans dihydrolipoamide dehydrogenase, LpdB 0.0054 0.3687 0.5
Brugia malayi dihydrolipoyl dehydrogenase, mitochondrial precursor, putative 0.0054 0.3687 0.3155
Echinococcus multilocularis dihydrolipoamide dehydrogenase 0.0054 0.3687 0.3155
Trypanosoma cruzi trypanothione reductase, putative 0.0094 1 1
Entamoeba histolytica hypothetical protein 0.0035 0.0777 0.5
Mycobacterium tuberculosis NADPH-dependent mycothiol reductase Mtr 0.0094 1 1
Trichomonas vaginalis chromobox protein, putative 0.0046 0.2433 0.3419
Brugia malayi Heterochromatin protein 1 0.0076 0.7115 0.6872

Activities

Activity type Activity value Assay description Source Reference
Diet (functional) < 63 % In vivo triglyceride lowering activity dosed at 0.10 % of the diet. ChEMBL. 6604817
Diet (functional) = 83 % In vivo triglyceride lowering activity when dosed at 0.03 % of the diet ChEMBL. 6604817
Diet (functional) = 84 % In vivo sterol lowering activity at dose of 0.10 % of the diet ChEMBL. 6604817
Diet (functional) = 93 % In vivo triglyceride lowering activity when dosed as 0.01 % of the diet ChEMBL. 6604817
Diet (functional) = 103 % In vivo sterol lowering activity when dosed as 0.01 % of the diet ChEMBL. 6604817
Diet (functional) = 108 % In vivo sterol lowering activity when dosed as 0.03 % of the diet ChEMBL. 6604817
Inhibition (binding) = 0 % In vitro inhibition of acyl coenzyme A:cholesterol acyltransferase ChEMBL. 6604817
Inhibition (binding) = 0 % In vitro inhibition of acyl coenzyme A:cholesterol acyltransferase ChEMBL. 6604817

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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