TDR Targets

Basic information

Technical information

TDR Targets ID: 45354
Name: N-(2-hydroxyphenyl)hexadecanamide
MW: 347.535 | Formula: C22H37NO2
H donors: 2 H acceptors: 2 LogP: 8.07 Rotable bonds: 16
Rule of 5 violations (Lipinski): 1
SMILES: CCCCCCCCCCCCCCCC(=O)Nc1ccccc1O
InChi: 1S/C22H37NO2/c1-2-3-4-5-6-7-8-9-10-11-12-13-14-19-22(25)23-20-17-15-16-18-21(20)24/h15-18,24H,2-14,19H2,1H3,(H,23,25)
InChiKey: IFBOWHSGMKWESR-UHFFFAOYSA-N

Network

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Target Layer

Model Organisms

Species	Viewmode
Arabidopsis thaliana
Caenorhabditis elegans
Dictyostelium discoideum
Drosophila melanogaster
Escherichia coli
Homo sapiens
Mus musculus
Oryza sativa
Saccharomyces cerevisiae
Schmidtea mediterranea
Other organisms

TDR Pathogens:

Species	Viewmode
Brugia malayi
Chlamydia trachomatis
Echinococcus granulosus
Entamoeba histolytica
Echinococcus multilocularis
Giardia lamblia
Leishmania major
Loa Loa (eye worm)
Mycobacterium leprae
Mycobacterium tuberculosis
Mycobacterium ulcerans
Onchocerca volvulus
Plasmodium falciparum
Plasmodium vivax
Schistosoma mansoni
Trypanosoma brucei
Trypanosoma cruzi
Toxoplasma gondii
Treponema pallidum
Trichomonas vaginalis
Wolbachia endosymbiont of Brugia malayi

Other Pathogens:

Species	Viewmode
Babesia bovis
Candida albicans
Cryptosporidium hominis
Cryptosporidium parvum
Leishmania braziliensis
Leishmania donovani
Leishmania infantum
Leishmania mexicana
Neospora caninum
Plasmodium berghei
Plasmodium knowlesi
Plasmodium yoelii
Schistosoma japonicum
Trypanosoma brucei gambiense
Trypanosoma congolense
Theileria parva

Compound Layer

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Clustering layers

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Synonyms

N-(2-hydroxyphenyl)palmitamide

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

Ranking Plot

Putative Targets List

Species	Potential target	Raw	Global	Species
Loa Loa (eye worm)	pre-SET domain-containing protein family protein	0.0226	0.2002	1
Echinococcus multilocularis	sphingomyelin synthase protein 1	0.0104	0.0761	0.1476
Trichomonas vaginalis	fructose-bisphosphate aldolase, putative	0.0298	0.2727	0.2654
Trypanosoma brucei	inositol phosphorylceramide synthase	0.1019	1	1
Trichomonas vaginalis	fructose-bisphosphate aldolase, putative	0.0298	0.2727	0.2654
Loa Loa (eye worm)	intermediate filament protein	0.0029	0.0005	0.0026
Schistosoma mansoni	hypothetical protein	0.0051	0.023	0.0438
Echinococcus multilocularis	diuretic hormone 44 receptor GPRdih2	0.0051	0.023	0.0438
Entamoeba histolytica	fructose-1,6-bisphosphate aldolase, putative	0.0298	0.2727	1
Echinococcus multilocularis	geminin	0.0536	0.5125	1
Plasmodium falciparum	sphingomyelin synthase 1, putative	0.0104	0.0761	0.5
Loa Loa (eye worm)	glycosyl hydrolase family 31 protein	0.0038	0.01	0.0499
Schistosoma mansoni	aldehyde dehydrogenase	0.0128	0.1008	0.1959
Trypanosoma brucei	ceramide phosphorylethanolamine synthase	0.0104	0.0761	0.0668
Echinococcus multilocularis	neutral alpha glucosidase AB	0.0038	0.01	0.0185
Loa Loa (eye worm)	glycosyl hydrolase family 31 protein	0.0172	0.1448	0.7234
Mycobacterium ulcerans	fructose-bisphosphate aldolase	0.0146	0.1187	1
Schistosoma mansoni	hypothetical protein	0.0051	0.023	0.0438
Loa Loa (eye worm)	intermediate filament tail domain-containing protein	0.0029	0.0005	0.0026
Trichomonas vaginalis	fructose-bisphosphate aldolase, putative	0.0298	0.2727	0.2654
Plasmodium falciparum	sphingomyelin synthase 2, putative	0.0104	0.0761	0.5
Loa Loa (eye worm)	pigment dispersing factor receptor c	0.0161	0.1341	0.6698
Echinococcus multilocularis	cadherin EGF LAG seven pass G type receptor	0.0051	0.023	0.0438
Brugia malayi	Latrophilin receptor protein 2	0.0051	0.023	0.1124
Brugia malayi	Phosphatidylcholine:ceramide cholinephosphotransferase 1	0.0104	0.0761	0.3786
Trichomonas vaginalis	fructose-bisphosphate aldolase, putative	0.0298	0.2727	0.2654
Toxoplasma gondii	aldehyde dehydrogenase	0.0128	0.1008	1
Trypanosoma cruzi	sphingomyelin/ceramide phosphorylethanolamine synthase, bifunctional	0.0104	0.0761	1
Onchocerca volvulus		0.0032	0.0043	0.0165
Loa Loa (eye worm)	hypothetical protein	0.0104	0.0761	0.3802
Brugia malayi	Phosphatidylcholine:ceramide cholinephosphotransferase 2	0.0104	0.0761	0.3786
Entamoeba histolytica	hypothetical protein	0.0104	0.0761	0.2516
Trichomonas vaginalis	hypothetical protein	0.0104	0.0761	0.0668
Schistosoma mansoni	hypothetical protein	0.0536	0.5125	1
Schistosoma mansoni	histone-lysine n-methyltransferase setb1	0.0032	0.0043	0.0074
Loa Loa (eye worm)	cytochrome P450 family protein	0.0052	0.024	0.1198
Plasmodium vivax	sphingomyelin synthase 2, putative	0.0104	0.0761	1
Brugia malayi	Phosphatidylcholine:ceramide cholinephosphotransferase 1	0.0104	0.0761	0.3786
Loa Loa (eye worm)	hypothetical protein	0.0104	0.0761	0.3802
Schistosoma mansoni	hypothetical protein	0.011	0.0827	0.1604
Entamoeba histolytica	fructose-1,6-bisphosphate aldolase, putative	0.0298	0.2727	1
Echinococcus granulosus	geminin	0.0536	0.5125	1
Treponema pallidum	fructose-bisphosphate aldolase	0.0298	0.2727	0.5
Loa Loa (eye worm)	hypothetical protein	0.0104	0.0761	0.3802
Entamoeba histolytica	hypothetical protein	0.0104	0.0761	0.2516
Echinococcus granulosus	diuretic hormone 44 receptor GPRdih2	0.0051	0.023	0.0438
Leishmania major	aldehyde dehydrogenase, mitochondrial precursor	0.0128	0.1008	1
Trichomonas vaginalis	fructose-bisphosphate aldolase, putative	0.0298	0.2727	0.2654
Brugia malayi	Glycosyl hydrolases family 31 protein	0.0172	0.1448	0.7227
Trichomonas vaginalis	sphingomyelin synthetase, putative	0.0104	0.0761	0.0668
Schistosoma mansoni	histone-lysine n-methyltransferase suv9	0.0032	0.0043	0.0074
Echinococcus multilocularis	histone lysine N methyltransferase SETMAR	0.0032	0.0043	0.0074
Brugia malayi	Phosphatidylcholine:ceramide cholinephosphotransferase 3	0.0104	0.0761	0.3786
Trypanosoma cruzi	sphingomyelin/ceramide phosphorylethanolamine synthase, bifunctional	0.0104	0.0761	1
Trichomonas vaginalis	fructose-bisphosphate aldolase, putative	0.0298	0.2727	0.2654
Trypanosoma brucei	sphingomyelin/ceramide phosphorylethanolamine synthase, bifunctional	0.0104	0.0761	0.0668
Echinococcus multilocularis	lysosomal alpha glucosidase	0.0172	0.1448	0.2818
Trichomonas vaginalis	fructose-bisphosphate aldolase, putative	0.0298	0.2727	0.2654
Brugia malayi	Sphingomyelin synthase-related 1	0.0104	0.0761	0.3786
Schistosoma mansoni	spingomyelin synthetase-related	0.0104	0.0761	0.1476
Schistosoma mansoni	histone-lysine n-methyltransferase setb1	0.0032	0.0043	0.0074
Brugia malayi	Corticotropin releasing factor receptor 2 precursor, putative	0.0161	0.1341	0.669
Echinococcus granulosus	histone lysine methyltransferase setb	0.0032	0.0043	0.0074
Loa Loa (eye worm)	hypothetical protein	0.0154	0.1273	0.6358
Echinococcus multilocularis	histone lysine methyltransferase setb histone lysine methyltransferase eggless	0.0032	0.0043	0.0074
Trypanosoma brucei	sphingomyelin/ceramide phosphorylethanolamine synthase, bifunctional	0.0104	0.0761	0.0668
Schistosoma mansoni	hypothetical protein	0.0051	0.023	0.0438
Schistosoma mansoni	histone-lysine n-methyltransferase setb1	0.0032	0.0043	0.0074
Brugia malayi	Pre-SET motif family protein	0.0226	0.2002	1
Echinococcus granulosus	GPCR family 2	0.0051	0.023	0.0438
Mycobacterium leprae	Probable fructose bisphosphate aldolase Fba	0.0146	0.1187	0.5
Entamoeba histolytica	hypothetical protein	0.0104	0.0761	0.2516
Trichomonas vaginalis	set domain proteins, putative	0.0258	0.2318	0.224
Trichomonas vaginalis	sphingomyelin synthetase, putative	0.1019	1	1
Loa Loa (eye worm)	hypothetical protein	0.0032	0.0043	0.0217
Onchocerca volvulus		0.0099	0.0718	0.308
Echinococcus granulosus	neutral alpha glucosidase AB	0.0038	0.01	0.0185
Brugia malayi	Cytochrome P450 family protein	0.0052	0.024	0.1174
Echinococcus multilocularis	GPCR, family 2	0.0051	0.023	0.0438
Loa Loa (eye worm)	hypothetical protein	0.0029	0.0005	0.0026
Echinococcus granulosus	aldehyde dehydrogenase mitochondrial	0.0128	0.1008	0.1959
Onchocerca volvulus		0.0258	0.2318	1
Echinococcus multilocularis	lysosomal alpha glucosidase	0.0172	0.1448	0.2818
Brugia malayi	Glycosyl hydrolases family 31 protein	0.0038	0.01	0.0474
Brugia malayi	Phosphatidylcholine:ceramide cholinephosphotransferase 2	0.0104	0.0761	0.3786
Entamoeba histolytica	hypothetical protein	0.0104	0.0761	0.2516
Echinococcus granulosus	lysosomal alpha glucosidase	0.0172	0.1448	0.2818
Echinococcus granulosus	cadherin EGF LAG seven pass G type receptor	0.0051	0.023	0.0438
Loa Loa (eye worm)	hypothetical protein	0.0104	0.0761	0.3802
Schistosoma mansoni	hypothetical protein	0.0536	0.5125	1
Giardia lamblia	Fructose-bisphosphate aldolase	0.0298	0.2727	0.5
Brugia malayi	calcium-independent alpha-latrotoxin receptor 2, putative	0.0051	0.023	0.1124
Echinococcus multilocularis	aldehyde dehydrogenase, mitochondrial	0.0128	0.1008	0.1959
Schistosoma mansoni	alpha glucosidase	0.0038	0.01	0.0185
Toxoplasma gondii	glycosyl hydrolase, family 31 protein	0.0038	0.01	0.0586
Schistosoma mansoni	hypothetical protein	0.0051	0.023	0.0438
Entamoeba histolytica	hypothetical membrane-spanning protein	0.0104	0.0761	0.2516
Trichomonas vaginalis	fructose-bisphosphate aldolase, putative	0.0298	0.2727	0.2654
Loa Loa (eye worm)	hypothetical protein	0.0161	0.1341	0.6698
Loa Loa (eye worm)	latrophilin receptor protein 2	0.0051	0.023	0.1148
Loa Loa (eye worm)	hypothetical protein	0.0051	0.023	0.1148
Schistosoma mansoni	aldehyde dehydrogenase	0.0128	0.1008	0.1959
Onchocerca volvulus		0.0154	0.1273	0.5481
Leishmania major	phosphatidylcholine:ceramide cholinephosphotransferase 2	0.0104	0.0761	0.7279
Toxoplasma gondii	hypothetical protein	0.0104	0.0761	0.7439
Trichomonas vaginalis	sphingomyelin synthetase, putative	0.0104	0.0761	0.0668
Plasmodium falciparum	sphingomyelin synthase 1, putative	0.0104	0.0761	0.5
Brugia malayi	Calcitonin receptor-like protein seb-1	0.0161	0.1341	0.669
Schistosoma mansoni	alpha-glucosidase	0.0148	0.1207	0.2347
Schistosoma mansoni	alpha-glucosidase	0.0148	0.1207	0.2347
Loa Loa (eye worm)	hypothetical protein	0.011	0.0827	0.4129
Echinococcus granulosus	sphingomyelin synthase protein 1	0.0104	0.0761	0.1476
Loa Loa (eye worm)	hypothetical protein	0.0104	0.0761	0.3802
Mycobacterium tuberculosis	Probable fructose-bisphosphate aldolase Fba	0.0146	0.1187	1
Echinococcus granulosus	5'partial\|histone lysine N methyltransferase SETDB2	0.0031	0.0031	0.0051
Brugia malayi	Pre-SET motif family protein	0.0032	0.0043	0.0191
Brugia malayi	hypothetical protein	0.0154	0.1273	0.6348
Brugia malayi	latrophilin 2 splice variant baaae	0.011	0.0827	0.4114
Loa Loa (eye worm)	hypothetical protein	0.0104	0.0761	0.3802
Entamoeba histolytica	hypothetical protein	0.0104	0.0761	0.2516
Plasmodium vivax	sphingomyelin synthase 1, putative	0.0104	0.0761	1
Trichomonas vaginalis	conserved hypothetical protein	0.0104	0.0761	0.0668

Activities

Activity type	Activity value	Assay description	Source	Reference
Inhibition (binding)	= 2.7 %	Percent inhibition of specific binding of [3H]-Win55,212-2 towards human cannabinoid receptor 2 from Chinese hamster ovary cell membranes at the concentration of 10 microM.	ChEMBL.	12672243
Inhibition (binding)	= 2.7 %	Percent inhibition of specific binding of [3H]-Win55,212-2 towards human cannabinoid receptor 2 from Chinese hamster ovary cell membranes at the concentration of 10 microM.	ChEMBL.	12672243
Inhibition (binding)	= 10.8 %	Percent inhibition of specific binding of [3H]-CP55,940 towards human cannabinoid receptor 1 from Chinese hamster ovary cell membranes at the concentration of 10 microM.	ChEMBL.	12672243
Inhibition (binding)	= 10.8 %	Percent inhibition of specific binding of [3H]-CP55,940 towards human cannabinoid receptor 1 from Chinese hamster ovary cell membranes at the concentration of 10 microM.	ChEMBL.	12672243
Inhibition (functional)	= 53 %	Tested for percent inhibition of AEA (N-arachidonoylethanolamine) metabolism in rat brain homogenates using [3H]-anandamide as the labeled substrate at 100 microM	ChEMBL.	12672243
IZ (functional)	= 11.8 mm	Antibacterial activity against Escherichia coli ATCC 25922 after 24 hrs by disc diffusion method	ChEMBL.	21345547
IZ (functional)	= 13.7 mm	Antifungal activity against Candida albicans after 3 to 4 days by disc diffusion method	ChEMBL.	21345547
MBC (functional)	= 100 ug ml-1	Antibacterial activity against Escherichia coli ATCC 25922 after 24 hrs by broth dilution technique	ChEMBL.	21345547
MFC (functional)	= 100 ug ml-1	Antifungal activity against Candida albicans after 48 hrs by broth dilution technique	ChEMBL.	21345547
MIC (functional)	= 50 ug ml-1	Antifungal activity against Candida albicans after 48 hrs by broth dilution technique	ChEMBL.	21345547
MIC (functional)	= 100 ug ml-1	Antibacterial activity against Escherichia coli ATCC 25922 after 24 hrs by broth dilution technique	ChEMBL.	21345547
pI50 (functional)	= 4.4	Inhibition of [3H]- AEA metabolism (N-arachidonoylethanolamine) in rat brain homogenates using [3H]-anandamide as the labeled substrate.	ChEMBL.	12672243

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

ChEMBL: CHEMBL33245
PubChem: 10497874

Bibliographic References

1 literature reference was collected for this gene.

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Detailed information for compound 45354