TDR Targets

Basic information

Technical information

TDR Targets ID: 1469414
Name: 1-[3-[2-hydroxy-3-(4-phenyl-3,6-dihydro-2H-py ridin-1-yl)propoxy]phenyl]ethanone
MW: 351.439 | Formula: C22H25NO3
H donors: 1 H acceptors: 2 LogP: 2.87 Rotable bonds: 7
Rule of 5 violations (Lipinski): 1
SMILES: OC(CN1CCC(=CC1)c1ccccc1)COc1cccc(c1)C(=O)C
InChi: 1S/C22H25NO3/c1-17(24)20-8-5-9-22(14-20)26-16-21(25)15-23-12-10-19(11-13-23)18-6-3-2-4-7-18/h2-10,14,21,25H,11-13,15-16H2,1H3
InChiKey: ZYLXBIWHWRRFEI-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

No synonyms found for this compound

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
Schistosoma mansoni	aldehyde dehydrogenase	0.006	0.0516	0.0369
Mycobacterium ulcerans	fatty-acid-CoA ligase	0.0047	0.0326	0.0201
Trypanosoma brucei	hypothetical protein, conserved	0.0035	0.0152	1
Mycobacterium ulcerans	3-oxoacyl-ACP synthase	0.0627	0.9025	1
Loa Loa (eye worm)	glutaminase 2	0.0269	0.3658	1
Loa Loa (eye worm)	hypothetical protein	0.0147	0.1822	0.4982
Mycobacterium tuberculosis	Probable chain -fatty-acid-CoA ligase FadD13 (fatty-acyl-CoA synthetase)	0.0047	0.0326	0.0232
Schistosoma mansoni	hypothetical protein	0.0172	0.2198	0.2078
Plasmodium vivax	histone acetyltransferase GCN5, putative	0.0042	0.0249	0.0276
Mycobacterium ulcerans	aldehyde dehydrogenase	0.006	0.0516	0.0414
Mycobacterium ulcerans	fusion of enoyl-CoA hydratase, EchA21 and lipase, LipE	0.0035	0.0152	0.0004
Mycobacterium tuberculosis	Conserved protein	0.0035	0.0152	0.0036
Echinococcus multilocularis	microtubule associated protein 2	0.0692	1	1
Mycobacterium tuberculosis	Probable esterase LipL	0.0035	0.0152	0.0036
Brugia malayi	AMP-binding enzyme family protein	0.0047	0.0326	0.0893
Leishmania major	4-coumarate:coa ligase-like protein	0.0047	0.0326	0.633
Echinococcus multilocularis	tumor protein p63	0.067	0.9661	0.9656
Mycobacterium tuberculosis	Conserved protein	0.0035	0.0152	0.0036
Mycobacterium ulcerans	aldehyde dehydrogenase	0.006	0.0516	0.0414
Loa Loa (eye worm)	hypothetical protein	0.0035	0.0148	0.0406
Mycobacterium tuberculosis	Probable hydrolase	0.0035	0.0152	0.0036
Echinococcus granulosus	geminin	0.0172	0.2198	0.2078
Mycobacterium ulcerans	lipase LipD	0.0035	0.0152	0.0004
Mycobacterium ulcerans	acyl-CoA synthetase	0.0047	0.0326	0.0201
Schistosoma mansoni	aldehyde dehydrogenase	0.006	0.0516	0.0369
Schistosoma mansoni	microtubule-associated protein tau	0.0692	1	1
Toxoplasma gondii	histone lysine acetyltransferase GCN5-B	0.0042	0.0249	0.4836
Mycobacterium ulcerans	acyl-CoA synthetase	0.0047	0.0326	0.0201
Entamoeba histolytica	acyl-CoA synthetase, putative	0.0047	0.0326	0.2002
Mycobacterium ulcerans	beta-lactamase	0.0035	0.0152	0.0004
Mycobacterium leprae	PROBABLE FATTY-ACID-CoA LIGASE FADD2 (FATTY-ACID-CoA SYNTHETASE) (FATTY-ACID-CoA SYNTHASE)	0.0047	0.0326	1
Schistosoma mansoni	hypothetical protein	0.0172	0.2198	0.2078
Loa Loa (eye worm)	hypothetical protein	0.0035	0.0148	0.0406
Echinococcus multilocularis	aldehyde dehydrogenase, mitochondrial	0.006	0.0516	0.0369
Brugia malayi	Hypothetical 52.5 kDa protein ZK945.1 in chromosome II, putative	0.0035	0.0152	0.0416
Onchocerca volvulus		0.0158	0.1989	1
Brugia malayi	Pip kinase protein 2	0.0158	0.1989	0.5437
Mycobacterium tuberculosis	3-oxoacyl-[acyl-carrier-protein] synthase III FabH (beta-ketoacyl-ACP synthase III) (KAS III)	0.0627	0.9025	1
Toxoplasma gondii	histone lysine acetyltransferase GCN5-A	0.0042	0.0249	0.4836
Echinococcus multilocularis	gcn5proteinral control of amino acid synthesis	0.0142	0.1755	0.1628
Loa Loa (eye worm)	beta-LACTamase domain containing family member	0.0035	0.0152	0.0416
Echinococcus multilocularis	diuretic hormone 44 receptor GPRdih2	0.0048	0.034	0.0191
Onchocerca volvulus		0.0098	0.1092	0.5115
Mycobacterium tuberculosis	Conserved protein	0.0035	0.0152	0.0036
Brugia malayi	Corticotropin releasing factor receptor 2 precursor, putative	0.0151	0.1891	0.5171
Mycobacterium ulcerans	long-chain-fatty-acid-CoA ligase	0.0047	0.0326	0.0201
Loa Loa (eye worm)	hypothetical protein	0.0048	0.034	0.093
Plasmodium falciparum	acyl-CoA synthetase	0.0035	0.0148	0.0164
Brugia malayi	calcium-independent alpha-latrotoxin receptor 2, putative	0.0048	0.034	0.093
Schistosoma mansoni	glutaminase	0.0269	0.3658	0.356
Plasmodium vivax	beta-ketoacyl-acyl carrier protein synthase III precursor, putative	0.0627	0.9025	1
Schistosoma mansoni	hypothetical protein	0.0048	0.034	0.0191
Echinococcus granulosus	aldehyde dehydrogenase mitochondrial	0.006	0.0516	0.0369
Trichomonas vaginalis	glutaminase, putative	0.0269	0.3658	1
Loa Loa (eye worm)	hypothetical protein	0.0035	0.0152	0.0416
Loa Loa (eye worm)	hypothetical protein	0.0035	0.0148	0.0406
Brugia malayi	beta-lactamase	0.0035	0.0152	0.0416
Loa Loa (eye worm)	hypothetical protein	0.0047	0.0326	0.0893
Echinococcus granulosus	cadherin EGF LAG seven pass G type receptor	0.0048	0.034	0.0191
Echinococcus granulosus	histone acetyltransferase KAT2B	0.0042	0.0249	0.0099
Loa Loa (eye worm)	hypothetical protein	0.0151	0.1891	0.5171
Leishmania major	aldehyde dehydrogenase, mitochondrial precursor	0.006	0.0516	1
Loa Loa (eye worm)	hypothetical protein	0.0035	0.0152	0.0416
Schistosoma mansoni	hypothetical protein	0.0048	0.034	0.0191
Brugia malayi	AMP-binding enzyme family protein	0.0047	0.0326	0.0893
Echinococcus granulosus	phosphatidylinositol 5 phosphate 4 kinase type 2	0.0158	0.1989	0.1865
Mycobacterium tuberculosis	Probable lipase LipE	0.0035	0.0152	0.0036
Wolbachia endosymbiont of Brugia malayi	3-oxoacyl-ACP synthase	0.0627	0.9025	0.5
Toxoplasma gondii	ABC1 family protein	0.0035	0.0152	0.2947
Brugia malayi	latrophilin 2 splice variant baaae	0.0103	0.1173	0.3208
Plasmodium vivax	acyl-CoA synthetase, putative	0.0035	0.0148	0.0164
Brugia malayi	glutaminase DH11.1	0.0269	0.3658	1
Entamoeba histolytica	fatty acid elongase, putative	0.0081	0.0843	1
Mycobacterium ulcerans	long-chain fatty-acid CoA ligase	0.0047	0.0326	0.0201
Loa Loa (eye worm)	hypothetical protein	0.0035	0.0152	0.0416
Plasmodium falciparum	histone acetyltransferase GCN5	0.0038	0.0197	0.0218
Mycobacterium ulcerans	hypothetical protein	0.0047	0.0326	0.0201
Brugia malayi	beta-lactamase family protein	0.0035	0.0152	0.0416
Giardia lamblia	Histone acetyltransferase GCN5	0.0038	0.0197	0.5
Echinococcus granulosus	histone acetyltransferase KAT2B	0.0138	0.1696	0.1567
Mycobacterium ulcerans	acyl-CoA synthetase	0.0047	0.0326	0.0201
Mycobacterium tuberculosis	Probable esterase/lipase LipP	0.0035	0.0152	0.0036
Brugia malayi	acetyltransferase, GNAT family protein	0.0142	0.1755	0.4799
Schistosoma mansoni	hypothetical protein	0.0103	0.1173	0.1037
Trypanosoma cruzi	hypothetical protein, conserved	0.0035	0.0152	1
Mycobacterium ulcerans	3-oxoacyl-ACP synthase	0.0627	0.9025	1
Mycobacterium tuberculosis	Probable fatty-acid-CoA ligase FadD2 (fatty-acid-CoA synthetase) (fatty-acid-CoA synthase)	0.0047	0.0326	0.0232
Entamoeba histolytica	fatty acid elongase, putative	0.0081	0.0843	1
Chlamydia trachomatis	oxoacyl-ACP synthase III	0.0627	0.9025	1
Loa Loa (eye worm)	acetyltransferase	0.0142	0.1755	0.4799
Trypanosoma cruzi	hypothetical protein, conserved	0.0035	0.0152	1
Leishmania major	4-coumarate:coa ligase-like protein	0.0047	0.0326	0.633
Echinococcus multilocularis	phosphatidylinositol 5 phosphate 4 kinase type 2	0.0158	0.1989	0.1865
Mycobacterium tuberculosis	Possible conserved lipoprotein LpqK	0.0035	0.0152	0.0036
Loa Loa (eye worm)	latrophilin receptor protein 2	0.0048	0.034	0.093
Loa Loa (eye worm)	pip kinase 2	0.0158	0.1989	0.5437
Toxoplasma gondii	aldehyde dehydrogenase	0.006	0.0516	1
Trichomonas vaginalis	bromodomain-containing protein, putative	0.0042	0.0249	0.0278
Schistosoma mansoni	phosphatidylinositol-4-phosphate 5-kinase type II	0.0158	0.1989	0.1865
Loa Loa (eye worm)	hypothetical protein	0.0035	0.0148	0.0406
Mycobacterium ulcerans	long-chain-fatty-acid--CoA ligase	0.0047	0.0326	0.0201
Entamoeba histolytica	fatty acid elongase, putative	0.0081	0.0843	1
Leishmania major	4-coumarate:coa ligase-like protein	0.0047	0.0326	0.633
Mycobacterium tuberculosis	Possible penicillin-binding protein	0.0226	0.3008	0.3243
Entamoeba histolytica	acyl-coA synthetase, putative	0.0047	0.0326	0.2002
Mycobacterium ulcerans	hypothetical protein	0.0035	0.0152	0.0004
Mycobacterium ulcerans	glutaminase	0.0269	0.3658	0.3953
Brugia malayi	Calcitonin receptor-like protein seb-1	0.0151	0.1891	0.5171
Brugia malayi	beta-lactamase family protein	0.0035	0.0152	0.0416
Leishmania major	hypothetical protein, conserved	0.0035	0.0152	0.2947
Mycobacterium ulcerans	aldehyde dehydrogenase	0.006	0.0516	0.0414
Schistosoma mansoni	hypothetical protein	0.0048	0.034	0.0191
Brugia malayi	AMP-binding enzyme family protein	0.0047	0.0326	0.0893
Loa Loa (eye worm)	hypothetical protein	0.0035	0.0152	0.0416
Onchocerca volvulus		0.0147	0.1822	0.9093
Plasmodium falciparum	beta-ketoacyl-ACP synthase III	0.0627	0.9025	1
Loa Loa (eye worm)	hypothetical protein	0.0035	0.0148	0.0406
Brugia malayi	Latrophilin receptor protein 2	0.0048	0.034	0.093
Loa Loa (eye worm)	hypothetical protein	0.0103	0.1173	0.3208
Loa Loa (eye worm)	hypothetical protein	0.0098	0.1092	0.2984
Mycobacterium ulcerans	beta-ketoacyl synthase-like protein	0.0627	0.9025	1
Loa Loa (eye worm)	hypothetical protein	0.0035	0.0152	0.0416
Echinococcus granulosus	tumor protein p63	0.067	0.9661	0.9656
Schistosoma mansoni	hypothetical protein	0.0048	0.034	0.0191
Echinococcus granulosus	diuretic hormone 44 receptor GPRdih2	0.0048	0.034	0.0191
Echinococcus granulosus	GPCR family 2	0.0048	0.034	0.0191
Loa Loa (eye worm)	pigment dispersing factor receptor c	0.0151	0.1891	0.5171
Echinococcus multilocularis	geminin	0.0172	0.2198	0.2078
Plasmodium vivax	hypothetical protein, conserved	0.0035	0.0152	0.0168
Brugia malayi	hypothetical protein	0.0147	0.1822	0.4982
Echinococcus multilocularis	GPCR, family 2	0.0048	0.034	0.0191
Loa Loa (eye worm)	beta-lactamase	0.0035	0.0152	0.0416
Mycobacterium tuberculosis	Probable conserved lipoprotein	0.0035	0.0152	0.0036
Entamoeba histolytica	fatty acid elongase, putative	0.0081	0.0843	1
Mycobacterium ulcerans	esterase/lipase LipP	0.0035	0.0152	0.0004
Loa Loa (eye worm)	glutaminase	0.0269	0.3658	1
Onchocerca volvulus		0.0047	0.0326	0.095
Loa Loa (eye worm)	hypothetical protein	0.0158	0.1989	0.5437
Trichomonas vaginalis	cat eye syndrome critical region protein 2, cscr2, putative	0.0042	0.0249	0.0278
Mycobacterium tuberculosis	Probable lipase LipD	0.0035	0.0152	0.0036
Loa Loa (eye worm)	hypothetical protein	0.0047	0.0326	0.0893
Echinococcus multilocularis	cadherin EGF LAG seven pass G type receptor	0.0048	0.034	0.0191
Schistosoma mansoni	cellular tumor antigen P53	0.0098	0.1092	0.0954
Schistosoma mansoni	gcn5proteinral control of amino-acid synthesis 5-like 2 gcnl2	0.0142	0.1755	0.1628
Loa Loa (eye worm)	hypothetical protein	0.0047	0.0326	0.0893
Mycobacterium tuberculosis	Fatty-acid-AMP ligase FadD30 (fatty-acid-AMP synthetase) (fatty-acid-AMP synthase)	0.0035	0.0148	0.0032
Loa Loa (eye worm)	hypothetical protein	0.0035	0.0152	0.0416
Entamoeba histolytica	fatty acid elongase, putative	0.0081	0.0843	1
Entamoeba histolytica	acyl-CoA synthetase, putative	0.0047	0.0326	0.2002
Mycobacterium tuberculosis	Probable aldehyde dehydrogenase	0.006	0.0516	0.0445
Mycobacterium leprae	PROBABLE FATTY-ACID-CoA LIGASE FADD7 (FATTY-ACID-CoA SYNTHETASE) (FATTY-ACID-CoA SYNTHASE)	0.0047	0.0326	1
Schistosoma mansoni	phosphatidylinositol-4-phosphate 5-kinase type II	0.0158	0.1989	0.1865

Activities

No activities found for this compound.

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: CHEMBL1624974

Bibliographic References

No literature references available for this target.

If you have references for this compound, please enter them in a user comment (below) or Contact us.

Detailed information for compound 1469414