Detailed information for compound 60162

Basic information

Technical information
  • TDR Targets ID: 60162
  • Name: (E)-N-phenyloctadec-9-enamide
  • MW: 357.573 | Formula: C24H39NO
  • H donors: 1 H acceptors: 1 LogP: 8.58 Rotable bonds: 17
    Rule of 5 violations (Lipinski): 1
  • SMILES: CCCCCCCC/C=C/CCCCCCCC(=O)Nc1ccccc1
  • InChi: 1S/C24H39NO/c1-2-3-4-5-6-7-8-9-10-11-12-13-14-15-19-22-24(26)25-23-20-17-16-18-21-23/h9-10,16-18,20-21H,2-8,11-15,19,22H2,1H3,(H,25,26)/b10-9+
  • InChiKey: YPUOCYKJOLQYQS-MDZDMXLPSA-N  

Network

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Synonyms

  • (E)-N-phenyl-9-octadecenamide
  • N-phenyloctadec-9-enamide

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 Hhat protein 0.0077 0.0137 0.0862
Schistosoma mansoni o-acyltransferase (membrane bound) domain containing protein 0.0077 0.0137 0.0137
Schistosoma mansoni membrane-bound acyltransferase/hhat 0.0077 0.0137 0.0137
Echinococcus multilocularis cAMP specific 3',5' cyclic phosphodiesterase 0.0387 0.1656 0.1656
Toxoplasma gondii acyl-CoA:diacylglycerol acyltransferase 1-related enzyme 0.0077 0.0137 0.0821
Echinococcus granulosus protein cysteine N palmitoyltransferase 0.0077 0.0137 0.0137
Leishmania major PIF1 helicase-like protein, putative,DNA repair and recombination protein, mitochondrial precursor, putative 0.209 1 1
Onchocerca volvulus 0.0077 0.0137 0.5
Toxoplasma gondii 3'5'-cyclic nucleotide phosphodiesterase domain-containing protein 0.0051 0.0007 0.004
Echinococcus granulosus membrane bound acyltransferase:hhat 0.0077 0.0137 0.0137
Loa Loa (eye worm) hypothetical protein 0.0077 0.0137 0.0556
Loa Loa (eye worm) hypothetical protein 0.0057 0.0039 0.0159
Trypanosoma brucei DNA repair and recombination helicase protein PIF7 0.209 1 1
Leishmania major glycerol uptake protein, putative 0.0077 0.0137 0.0137
Echinococcus multilocularis cAMP specific 3',5' cyclic phosphodiesterase 0.034 0.1425 0.1425
Giardia lamblia CAMP-specific 3,5-cyclic phosphodiesterase 4B 0.0387 0.1656 0.1656
Toxoplasma gondii acyl-CoA:cholesterol acyltransferase alpha ACAT1-alpha 0.0077 0.0137 0.0821
Loa Loa (eye worm) hhat protein 0.0077 0.0137 0.0556
Schistosoma mansoni hypothetical protein 0.0077 0.0137 0.0137
Echinococcus multilocularis o acyltransferase (membrane bound) domain 0.0077 0.0137 0.0137
Trypanosoma brucei C-8 sterol isomerase, putative 0.0375 0.1595 0.1595
Trypanosoma brucei DNA repair and recombination helicase protein PIF6 0.209 1 1
Echinococcus granulosus Membrane bound O acyl transferase MBOAT 0.0077 0.0137 0.0137
Schistosoma mansoni diacylglycerol O-acyltransferase 1 0.0077 0.0137 0.0137
Brugia malayi MBOAT family protein 0.0077 0.0137 0.0862
Trypanosoma brucei cytochrome P450, putative 0.0104 0.0266 0.0266
Trypanosoma brucei glycerol uptake protein, putative 0.0077 0.0137 0.0137
Trypanosoma cruzi DNA repair and recombination helicase protein PIF6, putative 0.209 1 1
Echinococcus multilocularis o acyltransferase (membrane bound) domain 0.0077 0.0137 0.0137
Echinococcus granulosus o acyltransferase membrane bound domain 0.0077 0.0137 0.0137
Echinococcus granulosus cAMP specific 3'5' cyclic phosphodiesterase 0.034 0.1425 0.1425
Echinococcus granulosus sterol O acyltransferase 1 0.0554 0.2471 0.2471
Echinococcus multilocularis diacylglycerol O acyltransferase 1 0.0077 0.0137 0.0137
Plasmodium vivax diacylglycerol O-acyltransferase, putative 0.0077 0.0137 0.5
Leishmania major PIF1 helicase-like protein, putative,DNA repair and recombination protein, mitochondrial precursor, putative 0.209 1 1
Brugia malayi MBOAT family protein 0.0077 0.0137 0.0862
Trichomonas vaginalis porcupine, putative 0.0077 0.0137 0.0137
Trichomonas vaginalis conserved hypothetical protein 0.0077 0.0137 0.0137
Loa Loa (eye worm) membrane bound O-acyltransferase domain containing 1 0.0077 0.0137 0.0556
Trichomonas vaginalis conserved hypothetical protein 0.0077 0.0137 0.0137
Loa Loa (eye worm) MBOAT family protein 0.0077 0.0137 0.0556
Brugia malayi Probable 3',5'-cyclic phosphodiesterase R153.1, putative 0.034 0.1425 0.8937
Toxoplasma gondii 3'5'-cyclic nucleotide phosphodiesterase domain-containing protein 0.0391 0.1673 1
Leishmania major C-8 sterol isomerase-like protein 0.0375 0.1595 0.1595
Trypanosoma cruzi GUP1, putative 0.0077 0.0137 0.0137
Echinococcus granulosus lysophospholipid acyltransferase 7 0.0077 0.0137 0.0137
Loa Loa (eye worm) hypothetical protein 0.0375 0.1595 0.6453
Echinococcus multilocularis protein cysteine N palmitoyltransferase 0.0077 0.0137 0.0137
Brugia malayi diacylglycerol acyltransferase 0.0077 0.0137 0.0862
Echinococcus granulosus o acyltransferase membrane bound domain 0.0077 0.0137 0.0137
Schistosoma mansoni camp-specific 35-cyclic phosphodiesterase 0.0387 0.1656 0.1656
Trypanosoma cruzi glycerol uptake protein, putative 0.0077 0.0137 0.0137
Brugia malayi MBOAT family protein 0.0077 0.0137 0.0862
Schistosoma mansoni o-acyltransferase (membrane bound) domain containing protein 0.0077 0.0137 0.0137
Brugia malayi ERG2 and Sigma1 receptor like protein 0.0375 0.1595 1
Brugia malayi Cytochrome P450 family protein 0.0104 0.0266 0.1669
Echinococcus multilocularis sterol O acyltransferase 1 0.0554 0.2471 0.2471
Leishmania major glycerol uptake protein, putative 0.0077 0.0137 0.0137
Loa Loa (eye worm) hypothetical protein 0.0077 0.0137 0.0556
Echinococcus multilocularis cAMP specific 3',5' cyclic phosphodiesterase 0.0387 0.1656 0.1656
Echinococcus granulosus o acyltransferase membrane bound domain 0.0077 0.0137 0.0137
Loa Loa (eye worm) MBOAT family protein 0.0077 0.0137 0.0556
Loa Loa (eye worm) hypothetical protein 0.0476 0.2092 0.8467
Loa Loa (eye worm) cytochrome P450 family protein 0.0104 0.0266 0.1077
Schistosoma mansoni zinc finger protein 0.0077 0.0137 0.0137
Trypanosoma cruzi GUP1, putative 0.0077 0.0137 0.0137
Echinococcus multilocularis o acyltransferase (membrane bound) domain 0.0077 0.0137 0.0137
Leishmania major glycerol uptake protein, putative 0.0077 0.0137 0.0137
Echinococcus multilocularis lysophospholipid acyltransferase 7 0.0077 0.0137 0.0137
Echinococcus multilocularis ATP dependent DNA helicase PIF1 0.209 1 1
Echinococcus multilocularis membrane bound acyltransferase:hhat 0.0077 0.0137 0.0137
Mycobacterium ulcerans cytochrome P450 185A4 Cyp185A4 0.0104 0.0266 0.5
Loa Loa (eye worm) diacylglycerol acyltransferase 0.0077 0.0137 0.0556
Trypanosoma cruzi cytochrome P450, putative 0.0104 0.0266 0.0266
Brugia malayi MBOAT family protein 0.0077 0.0137 0.0862
Trypanosoma brucei glycerol uptake protein, putative 0.0077 0.0137 0.0137
Trypanosoma cruzi DNA repair and recombination helicase protein PIF7, putative 0.209 1 1
Loa Loa (eye worm) MBOAT family protein 0.0077 0.0137 0.0556
Trichomonas vaginalis conserved hypothetical protein 0.209 1 1
Toxoplasma gondii hypothetical protein 0.0077 0.0137 0.0821
Trichomonas vaginalis conserved hypothetical protein 0.0077 0.0137 0.0137
Trypanosoma cruzi glycerol uptake protein, putative 0.0077 0.0137 0.0137
Giardia lamblia Rrm3p helicase 0.209 1 1
Echinococcus granulosus cAMP specific 3'5' cyclic phosphodiesterase 0.0387 0.1656 0.1656
Schistosoma mansoni sterol O-acyltransferase 1 0.0554 0.2471 0.2471
Treponema pallidum alginate O-acetylation protein (algI) 0.0077 0.0137 0.5
Loa Loa (eye worm) cytochrome P450 family protein 0.0104 0.0266 0.1077
Leishmania major glycerol uptake protein, putative 0.0077 0.0137 0.0137
Loa Loa (eye worm) hypothetical protein 0.0077 0.0137 0.0556
Schistosoma mansoni o-acyltransferase (membrane bound) domain containing protein 0.0077 0.0137 0.0137
Echinococcus granulosus diacylglycerol O acyltransferase 1 0.0077 0.0137 0.0137
Trypanosoma cruzi cytochrome P450, putative 0.0104 0.0266 0.0266
Loa Loa (eye worm) hypothetical protein 0.0191 0.0697 0.2821
Leishmania major cytochrome p450-like protein 0.0104 0.0266 0.0266
Loa Loa (eye worm) hypothetical protein 0.0387 0.1656 0.6702
Loa Loa (eye worm) CYP4Cod1 0.0104 0.0266 0.1077
Plasmodium falciparum diacylglycerol O-acyltransferase 0.0077 0.0137 0.5
Brugia malayi Cytochrome P450 family protein 0.0104 0.0266 0.1669
Echinococcus multilocularis Membrane bound O acyl transferase, MBOAT 0.0077 0.0137 0.0137
Leishmania major glycerol uptake protein, putative 0.0077 0.0137 0.0137
Leishmania major hypothetical protein, conserved 0.0077 0.0137 0.0137
Trypanosoma cruzi glycerol uptake protein, putative 0.0077 0.0137 0.0137
Entamoeba histolytica hypothetical protein, conserved 0.209 1 1
Echinococcus granulosus cAMP specific 3'5' cyclic phosphodiesterase 0.0387 0.1656 0.1656
Schistosoma mansoni leukocyte receptor cluster (lrc) member 4 protein 0.0077 0.0137 0.0137
Entamoeba histolytica DNA repair and recombination protein, putative 0.209 1 1
Trypanosoma cruzi C-8 sterol isomerase, putative 0.0375 0.1595 0.1595
Loa Loa (eye worm) hhat protein 0.0077 0.0137 0.0556
Brugia malayi MBOAT family protein 0.0077 0.0137 0.0862
Schistosoma mansoni hypothetical protein 0.209 1 1
Loa Loa (eye worm) cyclic AMP specific phosphodiesterase PDE4D5A 0.034 0.1425 0.5767
Trichomonas vaginalis transmembrane protein nessy, putative 0.0077 0.0137 0.0137
Trypanosoma cruzi DNA repair and recombination helicase protein PIF7, putative 0.209 1 1
Loa Loa (eye worm) hypothetical protein 0.0554 0.2471 1

Activities

Activity type Activity value Assay description Source Reference
IC50 (binding) = 0.02 uM Inhibitory activity against rat liver microsomal Acyl coenzyme A:cholesterol acyltransferase ChEMBL. 15261286
IC50 (binding) = 0.14 uM Inhibitory activity against human Acyl coenzyme A:cholesterol acyltransferase 1 ChEMBL. 15261286
IC50 (binding) = 0.17 uM Inhibitory activity against human Acyl coenzyme A:cholesterol acyltransferase 2 ChEMBL. 15261286
IC50 (binding) = 26 uM In vitro inhibition of acyl coenzyme A:cholesterol acyltransferase, in intestinal microsomes isolated from cholesterol-fed rabbits ChEMBL. 1578488

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

2 literature references were collected for this gene.

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