Detailed information for compound 1771275

Basic information

Technical information
  • Name: Unnamed compound
  • MW: 407.462 | Formula: C23H25N3O4
  • H donors: 1 H acceptors: 4 LogP: 5.42 Rotable bonds: 7
    Rule of 5 violations (Lipinski): 1
  • SMILES: CCOC(=O)CC1CCC(CC1)c1ccc(cc1)c1nc2c([nH]1)ccc(c2)[N+](=O)[O-]
  • InChi: 1S/C23H25N3O4/c1-2-30-22(27)13-15-3-5-16(6-4-15)17-7-9-18(10-8-17)23-24-20-12-11-19(26(28)29)14-21(20)25-23/h7-12,14-16H,2-6,13H2,1H3,(H,24,25)
  • InChiKey: WZMFSQMVOTYKGV-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
Theileria parva diacylglycerol O-acyltransferase, putative 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
Loa Loa (eye worm) diacylglycerol acyltransferase 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
Echinococcus multilocularis 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
Neospora caninum sterol O-acyltransferase, putative 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
Loa Loa (eye worm) hypothetical protein 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
Plasmodium falciparum diacylglycerol O-acyltransferase 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
Toxoplasma gondii acyl-CoA:diacylglycerol acyltransferase 1-related enzyme 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
Babesia bovis diacylglycerol acyltransferase, 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
Cryptosporidium parvum diacylglycerol acyltransferase 1 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
Cryptosporidium hominis acyl-CoA:diacylglycerol acyltransferase 1-related enzyme 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
Candida albicans Acyl-CoA cholesterol 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
Brugia malayi diacylglycerol acyltransferase 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

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 roundabout 2 0.0046 0.0075 0.1596
Plasmodium vivax macrophage migration inhibitory factor, putative 0.2736 1 1
Echinococcus multilocularis diacylglycerol O acyltransferase 1 0.0153 0.0471 1
Brugia malayi metabotropic glutamate receptor subtype 5a (mGluR5a), putative 0.0071 0.0166 0.0166
Entamoeba histolytica protein kinase domain containing protein 0.0048 0.0082 0.0082
Schistosoma mansoni diacylglycerol O-acyltransferase 1 0.0153 0.0471 1
Trichomonas vaginalis conserved hypothetical protein 0.2736 1 1
Leishmania major glycogen synthase kinase, putative;with=GeneDB:LinJ18_V3.0270 0.0048 0.0082 0.0082
Schistosoma mansoni metabotropic glutamate receptor 2 3 (mglur group 2) 0.0089 0.0233 0.4953
Echinococcus granulosus diacylglycerol O acyltransferase 1 0.0153 0.0471 1
Echinococcus multilocularis Immunoglobulin 0.0046 0.0075 0.1596
Toxoplasma gondii acyl-CoA:cholesterol acyltransferase alpha ACAT1-alpha 0.0153 0.0471 0.0471
Echinococcus multilocularis metabotropic glutamate receptor 2 0.0066 0.0147 0.3117
Treponema pallidum alginate O-acetylation protein (algI) 0.0026 0 0.5
Echinococcus granulosus twitchin 0.0047 0.0077 0.1632
Loa Loa (eye worm) CMGC/GSK protein kinase 0.0048 0.0082 0.0082
Echinococcus multilocularis glycogen synthase kinase 3 beta 0.0048 0.0082 0.1743
Trypanosoma cruzi glycogen synthase kinase 3, putative 0.0048 0.0082 1
Loa Loa (eye worm) macrophage migration inhibitory factor 2 0.1167 0.4211 0.4211
Schistosoma mansoni defective proboscis extension response (dpr)-related 0.0046 0.0075 0.1596
Loa Loa (eye worm) hypothetical protein 0.0046 0.0075 0.0075
Echinococcus granulosus neurotracting:lsamp:neurotrimin:obcam 0.0046 0.0075 0.1596
Brugia malayi diacylglycerol acyltransferase 0.0153 0.0471 0.0471
Loa Loa (eye worm) TK/KIN16 protein kinase 0.005 0.0091 0.0091
Loa Loa (eye worm) hypothetical protein 0.0046 0.0075 0.0075
Brugia malayi hypothetical protein 0.0046 0.0075 0.0075
Trichomonas vaginalis CMGC family protein kinase 0.0048 0.0082 0.0082
Schistosoma mansoni cell adhesion molecule 0.0046 0.0075 0.1596
Echinococcus granulosus metabotropic glutamate receptor 2 0.0066 0.0147 0.3117
Echinococcus multilocularis roundabout 2 0.0046 0.0075 0.1596
Echinococcus granulosus Immunoglobulin 0.0046 0.0075 0.1596
Loa Loa (eye worm) glutamate receptor 0.0031 0.0018 0.0018
Loa Loa (eye worm) hypothetical protein 0.0046 0.0075 0.0075
Schistosoma mansoni vesicular amine transporter 0.0046 0.0075 0.1596
Onchocerca volvulus 0.0048 0.0082 1
Echinococcus granulosus defective proboscis extension response 0.0046 0.0075 0.1596
Echinococcus granulosus neuroglian 0.0046 0.0075 0.1596
Toxoplasma gondii acyl-CoA:diacylglycerol acyltransferase 1-related enzyme 0.0153 0.0471 0.0471
Loa Loa (eye worm) hypothetical protein 0.0046 0.0075 0.0075
Toxoplasma gondii macrophage migration inhibitory factor, putative 0.2736 1 1
Loa Loa (eye worm) glutamate receptor 0.0078 0.0194 0.0194
Leishmania major macrophage migration inhibitory factor-like protein 0.2736 1 1
Schistosoma mansoni metabotropic glutamate receptor 0.0038 0.0046 0.0969
Plasmodium vivax diacylglycerol O-acyltransferase, putative 0.0153 0.0471 0.0392
Plasmodium falciparum diacylglycerol O-acyltransferase 0.0153 0.0471 0.0392
Echinococcus multilocularis neuroglian 0.0046 0.0075 0.1596
Loa Loa (eye worm) hypothetical protein 0.0046 0.0075 0.0075
Brugia malayi intracellular kinase 0.0048 0.0082 0.0082
Loa Loa (eye worm) macrophage migration inhibitory factor 0.2736 1 1
Entamoeba histolytica protein kinase domain containing protein 0.0048 0.0082 0.0082
Giardia lamblia Macrophage migration inhibitory factor 0.2736 1 1
Entamoeba histolytica macrophage migration inhibitory factor-like protein 0.2736 1 1
Echinococcus multilocularis metabotropic glutamate receptor 5 0.0096 0.026 0.553
Loa Loa (eye worm) CMGC/GSK protein kinase 0.0048 0.0082 0.0082
Brugia malayi metabotropic glutamate receptor type 2 0.0038 0.0046 0.0046
Echinococcus granulosus protein kinase shaggy 0.0048 0.0082 0.1743
Loa Loa (eye worm) hypothetical protein 0.0046 0.0075 0.0075
Plasmodium falciparum macrophage migration inhibitory factor 0.2736 1 1
Schistosoma mansoni metabotropic glutamate receptor 0.0066 0.0147 0.3117
Loa Loa (eye worm) hypothetical protein 0.0046 0.0075 0.0075
Loa Loa (eye worm) hypothetical protein 0.0096 0.026 0.026
Leishmania major macrophage migration inhibitory factor-like protein 0.2736 1 1
Schistosoma mansoni nephrin 0.0046 0.0075 0.1596
Loa Loa (eye worm) hypothetical protein 0.0046 0.0075 0.0075
Echinococcus multilocularis Immunoglobulin 0.0046 0.0075 0.1596
Trichomonas vaginalis CMGC family protein kinase 0.0048 0.0082 0.0082
Echinococcus granulosus glycogen synthase kinase 3 beta 0.0048 0.0082 0.1743
Echinococcus granulosus metabotropic glutamate receptor 5 0.0096 0.026 0.553
Schistosoma mansoni glycogen synthase kinase 3-related (gsk3) (cmgc group III) 0.0048 0.0082 0.1743
Schistosoma mansoni Neurotrimin precursor (hNT) 0.0046 0.0075 0.1596
Echinococcus multilocularis protein kinase shaggy 0.0048 0.0082 0.1743
Brugia malayi Fibronectin type III domain containing protein 0.0046 0.0075 0.0075
Entamoeba histolytica protein kinase, putative 0.0048 0.0082 0.0082
Loa Loa (eye worm) hypothetical protein 0.0046 0.0075 0.0075
Loa Loa (eye worm) diacylglycerol acyltransferase 0.0153 0.0471 0.0471
Trichomonas vaginalis macrophage migration inhibitory factor, mif, putative 0.2736 1 1
Brugia malayi Immunoglobulin I-set domain containing protein 0.005 0.0091 0.0091
Echinococcus multilocularis basement membrane specific heparan sulfate 0.0046 0.0075 0.1596
Brugia malayi Metabotropic glutamate receptor precursor. 0.0078 0.0194 0.0194
Toxoplasma gondii cell-cycle-associated protein kinase GSK, putative 0.0048 0.0082 0.0082
Loa Loa (eye worm) hypothetical protein 0.0128 0.0376 0.0376
Brugia malayi Immunoglobulin I-set domain containing protein 0.0046 0.0075 0.0075
Trypanosoma brucei protein kinase, putative 0.0048 0.0082 1
Loa Loa (eye worm) macrophage migration inhibitory factor 2 0.1167 0.4211 0.4211

Activities

Activity type Activity value Assay description Source Reference
IC50 (binding) = 1.06 uM Inhibition of recombinant human DGAT-1 expressed in Hep3B cell lysate using didecanoyl glycerol and [14C]decanoyl-CoA as substrate after 60 mins by liquid scintillation counting analysis ChEMBL. 23810496

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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