Detailed information for compound 1730258

Basic information

Technical information
  • Name: Unnamed compound
  • MW: 482.53 | Formula: C28H26N4O4
  • H donors: 2 H acceptors: 5 LogP: 4.68 Rotable bonds: 8
    Rule of 5 violations (Lipinski): 1
  • SMILES: O=C(c1ccc2c(n1)cccc2)Nc1ccc(nc1)N1CCC(CC1)COc1cccc(c1)C(=O)O
  • InChi: 1S/C28H26N4O4/c33-27(25-10-8-20-4-1-2-7-24(20)31-25)30-22-9-11-26(29-17-22)32-14-12-19(13-15-32)18-36-23-6-3-5-21(16-23)28(34)35/h1-11,16-17,19H,12-15,18H2,(H,30,33)(H,34,35)
  • InChiKey: UMOKFHVADDKEBJ-UHFFFAOYSA-N  

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 diacylglycerol O-acyltransferase 1 Starlite/ChEMBL References

Predicted pathogen targets for this compound

By orthology
Species Potential target Known druggable target/s Ortholog Group
Candida albicans Acyl-CoA cholesterol acyltransferase Get druggable targets OG5_128200 All targets in OG5_128200
Loa Loa (eye worm) hypothetical protein Get druggable targets OG5_128200 All targets in OG5_128200
Schistosoma japonicum Diacylglycerol O-acyltransferase 1, putative Get druggable targets OG5_128200 All targets in OG5_128200
Plasmodium yoelii acyl transferase-related Get druggable targets OG5_128200 All targets in OG5_128200
Babesia bovis diacylglycerol acyltransferase, putative Get druggable targets OG5_128200 All targets in OG5_128200
Plasmodium vivax diacylglycerol O-acyltransferase, putative Get druggable targets OG5_128200 All targets in OG5_128200
Plasmodium berghei diacylglycerol O-acyltransferase, putative Get druggable targets OG5_128200 All targets in OG5_128200
Plasmodium knowlesi diacylglycerol O-acyltransferase, putative Get druggable targets OG5_128200 All targets in OG5_128200
Theileria parva diacylglycerol O-acyltransferase, putative Get druggable targets OG5_128200 All targets in OG5_128200
Echinococcus multilocularis diacylglycerol O acyltransferase 1 Get druggable targets OG5_128200 All targets in OG5_128200
Cryptosporidium parvum diacylglycerol acyltransferase 1 Get druggable targets OG5_128200 All targets in OG5_128200
Loa Loa (eye worm) diacylglycerol acyltransferase Get druggable targets OG5_128200 All targets in OG5_128200
Candida albicans Acyl-CoA cholesterol acyltransferase Get druggable targets OG5_128200 All targets in OG5_128200
Plasmodium falciparum diacylglycerol O-acyltransferase Get druggable targets OG5_128200 All targets in OG5_128200
Brugia malayi diacylglycerol acyltransferase Get druggable targets OG5_128200 All targets in OG5_128200
Toxoplasma gondii acyl-CoA:cholesterol acyltransferase alpha ACAT1-alpha Get druggable targets OG5_128200 All targets in OG5_128200
Neospora caninum sterol O-acyltransferase, putative Get druggable targets OG5_128200 All targets in OG5_128200
Schistosoma japonicum Diacylglycerol O-acyltransferase 1, putative Get druggable targets OG5_128200 All targets in OG5_128200
Schistosoma mansoni diacylglycerol O-acyltransferase 1 Get druggable targets OG5_128200 All targets in OG5_128200
Echinococcus granulosus diacylglycerol O acyltransferase 1 Get druggable targets OG5_128200 All targets in OG5_128200
Schistosoma japonicum ko:K00635 diacylglycerol O-acyltransferase [EC2.3.1.20], putative Get druggable targets OG5_128200 All targets in OG5_128200
Cryptosporidium hominis acyl-CoA:diacylglycerol acyltransferase 1-related enzyme Get druggable targets OG5_128200 All targets in OG5_128200
Toxoplasma gondii acyl-CoA:diacylglycerol acyltransferase 1-related enzyme Get druggable targets OG5_128200 All targets in OG5_128200
Neospora caninum diacylglycerol acyltransferase, putative Get druggable targets OG5_128200 All targets in OG5_128200

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
Brugia malayi Nuclear hormone receptor family member nhr-3 0.0072 0.2933 0.2933
Echinococcus multilocularis ecdysone induced protein 78C 0.0072 0.2933 0.2933
Loa Loa (eye worm) hypothetical protein 0.0072 0.2933 0.2933
Brugia malayi ecdysteroid receptor 0.0072 0.2933 0.2933
Schistosoma mansoni nuclear receptor 2DBD-gamma 0.0072 0.2933 0.2933
Schistosoma mansoni thyroid hormone receptor 0.0072 0.2933 0.2933
Schistosoma mansoni nuclear hormone receptor nor-1/nor-2 0.0072 0.2933 0.2933
Echinococcus multilocularis nuclear receptor 2DBD gamma 0.0072 0.2933 0.2933
Brugia malayi Nuclear hormone receptor family member nhr-14 0.0072 0.2933 0.2933
Schistosoma mansoni FTZ-F1 nuclear receptor-like protein 0.0072 0.2933 0.2933
Brugia malayi Nuclear hormone receptor family member nhr-25 0.0072 0.2933 0.2933
Brugia malayi Steroid receptor seven-up type 2 0.0072 0.2933 0.2933
Loa Loa (eye worm) nuclear hormone receptor family member nhr-40 0.0072 0.2933 0.2933
Loa Loa (eye worm) nuclear hormone receptor family member nhr-49 0.0072 0.2933 0.2933
Brugia malayi Nuclear hormone receptor family member nhr-19 0.0072 0.2933 0.2933
Loa Loa (eye worm) nuclear hormone receptor family member nhr-41 0.0072 0.2933 0.2933
Loa Loa (eye worm) hypothetical protein 0.0072 0.2933 0.2933
Brugia malayi steroid hormone receptor 0.0072 0.2933 0.2933
Brugia malayi nuclear hormone receptor 0.0072 0.2933 0.2933
Echinococcus granulosus nuclear receptor 2DBD gamma 0.0072 0.2933 0.2933
Echinococcus granulosus COUP TF:Svp nuclear hormone receptor 0.0072 0.2933 0.2933
Brugia malayi Nuclear hormone receptor family member nhr-41 0.0072 0.2933 0.2933
Loa Loa (eye worm) hypothetical protein 0.0072 0.2933 0.2933
Loa Loa (eye worm) hypothetical protein 0.0128 0.7767 0.7767
Onchocerca volvulus Protein ultraspiracle homolog 0.0072 0.2933 0.5
Brugia malayi Nuclear hormone receptor-like 1 0.0072 0.2933 0.2933
Echinococcus multilocularis hepatocyte nuclear factor 4 alpha 0.0072 0.2933 0.2933
Schistosoma mansoni Tr4/Tr2 (homologue) 0.0072 0.2933 0.2933
Echinococcus granulosus Nuclear hormone receptor family member nhr 41 0.0072 0.2933 0.2933
Schistosoma mansoni RAR-like nuclear receptor 0.0072 0.2933 0.2933
Brugia malayi nuclear receptor NHR-88 0.0072 0.2933 0.2933
Loa Loa (eye worm) hypothetical protein 0.0072 0.2933 0.2933
Echinococcus granulosus FTZ F1 nuclear receptor protein 0.0072 0.2933 0.2933
Loa Loa (eye worm) hypothetical protein 0.0072 0.2933 0.2933
Echinococcus multilocularis FTZ F1 nuclear receptor protein 0.0072 0.2933 0.2933
Loa Loa (eye worm) hypothetical protein 0.0072 0.2933 0.2933
Onchocerca volvulus Steroid hormone receptor family member cnr14 homolog 0.0072 0.2933 0.5
Brugia malayi Nuclear hormone receptor family member nhr-49 0.0072 0.2933 0.2933
Echinococcus multilocularis COUP TF:Svp nuclear hormone receptor 0.0072 0.2933 0.2933
Echinococcus multilocularis Nuclear hormone receptor family member nhr 41 0.0072 0.2933 0.2933
Brugia malayi Nuclear hormone receptor family member nhr-40 0.0072 0.2933 0.2933
Brugia malayi Ligand-binding domain of nuclear hormone receptor family protein 0.0072 0.2933 0.2933
Loa Loa (eye worm) steroid hormone receptor 0.0072 0.2933 0.2933
Brugia malayi photoreceptor-specific nuclear receptor 0.0072 0.2933 0.2933
Onchocerca volvulus Bile acid receptor homolog 0.0072 0.2933 0.5
Schistosoma mansoni coup transcription factor 0.0072 0.2933 0.2933
Echinococcus granulosus retinoic acid receptor rxr beta a 0.0072 0.2933 0.2933
Echinococcus granulosus ecdysone induced protein 78C 0.0072 0.2933 0.2933
Echinococcus granulosus nuclear receptor 2DBD gamma 0.0072 0.2933 0.2933
Brugia malayi Nuclear hormone receptor family member nhr-1 0.0072 0.2933 0.2933
Onchocerca volvulus 0.0072 0.2933 0.5
Loa Loa (eye worm) nuclear hormone receptor family member nhr-31 0.0072 0.2933 0.2933
Loa Loa (eye worm) hypothetical protein 0.0072 0.2933 0.2933
Schistosoma mansoni steroid hormone receptor ad4bp 0.0072 0.2933 0.2933
Schistosoma mansoni retinoid-x-receptor (RXR) 0.0072 0.2933 0.2933
Echinococcus granulosus hepatocyte nuclear factor 4 alpha 0.0072 0.2933 0.2933
Schistosoma mansoni nuclear hormone receptor 0.0072 0.2933 0.2933
Schistosoma mansoni thyroid hormone receptor 0.0072 0.2933 0.2933
Brugia malayi Nuclear hormone receptor family member nhr-19 0.0072 0.2933 0.2933
Echinococcus multilocularis FTZ F1 alpha 0.0072 0.2933 0.2933
Echinococcus multilocularis thyroid hormone receptor alpha 0.0072 0.2933 0.2933
Loa Loa (eye worm) hypothetical protein 0.0072 0.2933 0.2933
Loa Loa (eye worm) nuclear Hormone Receptor family member 0.0072 0.2933 0.2933
Brugia malayi Ligand-binding domain of nuclear hormone receptor family protein 0.0072 0.2933 0.2933
Loa Loa (eye worm) nuclear hormone receptor family member nhr-1 0.0072 0.2933 0.2933
Loa Loa (eye worm) nuclear hormone receptor family member nhr-14 0.0072 0.2933 0.2933
Echinococcus granulosus FTZ F1 alpha 0.0072 0.2933 0.2933
Echinococcus multilocularis nuclear receptor 2DBD gamma 0.0072 0.2933 0.2933
Brugia malayi Nuclear hormone receptor family member nhr-31 0.0072 0.2933 0.2933
Schistosoma mansoni retinoic acid receptor RXR 0.0072 0.2933 0.2933
Schistosoma mansoni photoreceptor-specific nuclear receptor related 0.0072 0.2933 0.2933
Brugia malayi Nuclear hormone receptor family member nhr-25 0.0072 0.2933 0.2933

Activities

Activity type Activity value Assay description Source Reference
IC50 (binding) = 460 nM Inhibition of human DGAT1 expressed in Sf9 cells using 1,2-dioleoyl-sn-glycerol and [14C]-palmitoyl-Co A substrates incubated for 2 hrs by scintillation counting method ChEMBL. 23317570
Inhibition (functional) Reduction in plasma triglyceride levels in C57BL/6J mouse at 3 mg/kg, po by colorimetric method based postprandial triglyceride assay ChEMBL. 23317570

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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