Detailed information for compound 1612176

Basic information

Technical information
  • TDR Targets ID: 1612176
  • Name: 8,16-bis(2-oxopropyl)-1,9-dioxacyclohexadecan e-2,5,10,13-tetrone
  • MW: 396.432 | Formula: C20H28O8
  • H donors: 0 H acceptors: 6 LogP: -0.84 Rotable bonds: 4
    Rule of 5 violations (Lipinski): 1
  • SMILES: CC(=O)CC1CCC(=O)CCC(=O)OC(CCC(=O)CCC(=O)O1)CC(=O)C
  • InChi: 1S/C20H28O8/c1-13(21)11-17-7-3-15(23)6-10-20(26)28-18(12-14(2)22)8-4-16(24)5-9-19(25)27-17/h17-18H,3-12H2,1-2H3
  • InChiKey: BANPLRUNKASJCB-UHFFFAOYSA-N  

Network

Hover on a compound node to display the structore

Synonyms

  • 8,16-diacetonyl-1,9-dioxacyclohexadecane-2,5,10,13-tetrone
  • 8,16-diacetonyl-1,9-dioxacyclohexadecane-2,5,10,13-diquinone
  • AIDS-051154
  • NSC657322
  • Tetrahydrovermiculin
  • NCI60_019849
  • AIDS051154

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
Brugia malayi MBOAT family protein 0.0184 0.0748 0.0748
Entamoeba histolytica hypothetical protein, conserved 0.0184 0.0748 1
Brugia malayi MBOAT family protein 0.0184 0.0748 0.0748
Entamoeba histolytica membrane-bound O-acyltransferase (MBOAT ) family protein 0.0184 0.0748 1
Loa Loa (eye worm) MBOAT family protein 0.0184 0.0748 0.0748
Loa Loa (eye worm) MBOAT family protein 0.0184 0.0748 0.0748
Schistosoma mansoni o-acyltransferase (membrane bound) domain containing protein 0.0184 0.0748 0.0748
Echinococcus multilocularis o acyltransferase (membrane bound) domain 0.0184 0.0748 0.0748
Toxoplasma gondii acyl-CoA:cholesterol acyltransferase alpha ACAT1-alpha 0.1095 1 1
Echinococcus multilocularis protein cysteine N palmitoyltransferase 0.0184 0.0748 0.0748
Treponema pallidum alginate O-acetylation protein (algI) 0.0184 0.0748 0.5
Onchocerca volvulus 0.0184 0.0748 1
Trypanosoma cruzi glycerol uptake protein, putative 0.0184 0.0748 0.5
Trichomonas vaginalis conserved hypothetical protein 0.0184 0.0748 0.5
Loa Loa (eye worm) membrane bound O-acyltransferase domain containing 1 0.0184 0.0748 0.0748
Leishmania major glycerol uptake protein, putative 0.0184 0.0748 0.5
Schistosoma mansoni hypothetical protein 0.0184 0.0748 0.0748
Toxoplasma gondii acyl-CoA:diacylglycerol acyltransferase 1-related enzyme 0.1095 1 1
Loa Loa (eye worm) hypothetical protein 0.0911 0.8131 0.8131
Schistosoma mansoni zinc finger protein 0.0184 0.0748 0.0748
Trichomonas vaginalis conserved hypothetical protein 0.0184 0.0748 0.5
Schistosoma mansoni diacylglycerol O-acyltransferase 1 0.1095 1 1
Schistosoma mansoni leukocyte receptor cluster (lrc) member 4 protein 0.0184 0.0748 0.0748
Trypanosoma brucei glycerol uptake protein, putative 0.0184 0.0748 0.5
Entamoeba histolytica hypothetical protein 0.0184 0.0748 1
Leishmania major glycerol uptake protein, putative 0.0184 0.0748 0.5
Trypanosoma brucei glycerol uptake protein, putative 0.0184 0.0748 0.5
Loa Loa (eye worm) diacylglycerol acyltransferase 0.1095 1 1
Schistosoma mansoni o-acyltransferase (membrane bound) domain containing protein 0.0184 0.0748 0.0748
Loa Loa (eye worm) hypothetical protein 0.0184 0.0748 0.0748
Schistosoma mansoni membrane-bound acyltransferase/hhat 0.0184 0.0748 0.0748
Echinococcus multilocularis o acyltransferase (membrane bound) domain 0.0184 0.0748 0.0748
Trypanosoma cruzi GUP1, putative 0.0184 0.0748 0.5
Trichomonas vaginalis porcupine, putative 0.0184 0.0748 0.5
Echinococcus granulosus Membrane bound O acyl transferase MBOAT 0.0184 0.0748 0.0748
Loa Loa (eye worm) hhat protein 0.0184 0.0748 0.0748
Trypanosoma cruzi glycerol uptake protein, putative 0.0184 0.0748 0.5
Echinococcus granulosus o acyltransferase membrane bound domain 0.0184 0.0748 0.0748
Loa Loa (eye worm) MBOAT family protein 0.0184 0.0748 0.0748
Loa Loa (eye worm) hypothetical protein 0.0184 0.0748 0.0748
Echinococcus multilocularis membrane bound acyltransferase:hhat 0.0184 0.0748 0.0748
Leishmania major hypothetical protein, conserved 0.0184 0.0748 0.5
Leishmania major glycerol uptake protein, putative 0.0184 0.0748 0.5
Loa Loa (eye worm) hhat protein 0.0184 0.0748 0.0748
Plasmodium vivax diacylglycerol O-acyltransferase, putative 0.1095 1 0.5
Echinococcus granulosus protein cysteine N palmitoyltransferase 0.0184 0.0748 0.0748
Echinococcus granulosus lysophospholipid acyltransferase 7 0.0184 0.0748 0.0748
Leishmania major glycerol uptake protein, putative 0.0184 0.0748 0.5
Echinococcus multilocularis o acyltransferase (membrane bound) domain 0.0184 0.0748 0.0748
Echinococcus multilocularis lysophospholipid acyltransferase 7 0.0184 0.0748 0.0748
Echinococcus granulosus sterol O acyltransferase 1 0.0184 0.0748 0.0748
Leishmania major glycerol uptake protein, putative 0.0184 0.0748 0.5
Trypanosoma cruzi GUP1, putative 0.0184 0.0748 0.5
Trichomonas vaginalis conserved hypothetical protein 0.0184 0.0748 0.5
Echinococcus granulosus diacylglycerol O acyltransferase 1 0.1095 1 1
Trypanosoma cruzi glycerol uptake protein, putative 0.0184 0.0748 0.5
Schistosoma mansoni o-acyltransferase (membrane bound) domain containing protein 0.0184 0.0748 0.0748
Plasmodium falciparum diacylglycerol O-acyltransferase 0.1095 1 0.5
Schistosoma mansoni sterol O-acyltransferase 1 0.0184 0.0748 0.0748
Echinococcus granulosus o acyltransferase membrane bound domain 0.0184 0.0748 0.0748
Echinococcus multilocularis diacylglycerol O acyltransferase 1 0.1095 1 1
Brugia malayi MBOAT family protein 0.0184 0.0748 0.0748
Echinococcus multilocularis sterol O acyltransferase 1 0.0184 0.0748 0.0748
Entamoeba histolytica membrane-bound O-acyltransferase (MBOAT ) family protein 0.0184 0.0748 1
Echinococcus multilocularis Membrane bound O acyl transferase, MBOAT 0.0184 0.0748 0.0748
Brugia malayi MBOAT family protein 0.0184 0.0748 0.0748
Entamoeba histolytica membrane-bound O-acyltransferase (MBOAT ) family protein 0.0184 0.0748 1
Echinococcus granulosus membrane bound acyltransferase:hhat 0.0184 0.0748 0.0748
Brugia malayi Hhat protein 0.0184 0.0748 0.0748
Brugia malayi MBOAT family protein 0.0184 0.0748 0.0748
Echinococcus granulosus o acyltransferase membrane bound domain 0.0184 0.0748 0.0748
Loa Loa (eye worm) hypothetical protein 0.0184 0.0748 0.0748
Loa Loa (eye worm) hypothetical protein 0.0184 0.0748 0.0748
Trichomonas vaginalis transmembrane protein nessy, putative 0.0184 0.0748 0.5
Entamoeba histolytica vacuolar protein sorting 26 0.0184 0.0748 1

Activities

Activity type Activity value Assay description Source Reference
GI50 (functional) -4 PUBCHEM_BIOASSAY: NCI human tumor cell line growth inhibition assay. Data for the MDA-N Breast cell line. (Class of assay: confirmatory) ChEMBL. No reference
GI50 (functional) -4 PUBCHEM_BIOASSAY: NCI human tumor cell line growth inhibition assay. Data for the SN12C Renal cell line. (Class of assay: confirmatory) ChEMBL. No reference
GI50 (functional) -4 PUBCHEM_BIOASSAY: NCI human tumor cell line growth inhibition assay. Data for the NCI-H23 Non-Small Cell Lung cell line. (Class of assay: confirmatory) ChEMBL. No reference
GI50 (functional) -4 PUBCHEM_BIOASSAY: NCI human tumor cell line growth inhibition assay. Data for the ACHN Renal cell line. (Class of assay: confirmatory) ChEMBL. No reference
GI50 (functional) -4 PUBCHEM_BIOASSAY: NCI human tumor cell line growth inhibition assay. Data for the HOP-92 Non-Small Cell Lung cell line. (Class of assay: confirmatory) ChEMBL. No reference
GI50 (functional) -4 PUBCHEM_BIOASSAY: NCI human tumor cell line growth inhibition assay. Data for the HL-60(TB) Leukemia cell line. (Class of assay: confirmatory) ChEMBL. No reference
GI50 (functional) -4 PUBCHEM_BIOASSAY: NCI human tumor cell line growth inhibition assay. Data for the DU-145 Prostate cell line. (Class of assay: confirmatory) ChEMBL. No reference
GI50 (functional) -4 PUBCHEM_BIOASSAY: NCI human tumor cell line growth inhibition assay. Data for the SF-539 Central Nervous System cell line. (Class of assay: confirmatory) ChEMBL. No reference
GI50 (functional) -4 PUBCHEM_BIOASSAY: NCI human tumor cell line growth inhibition assay. Data for the MALME-3M Melanoma cell line. (Class of assay: confirmatory) ChEMBL. No reference

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

No literature references available for this target.

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