TDR Targets

Basic information

Technical information

TDR Targets ID: 1479068
Name: N-[[4-[(6-chloropyridin-3-yl)methoxy]-3-metho xyphenyl]methyl]-2-(2-fluorophenyl)ethanamine
MW: 400.874 | Formula: C22H22ClFN2O2
H donors: 1 H acceptors: 1 LogP: 4.67 Rotable bonds: 9
Rule of 5 violations (Lipinski): 1
SMILES: COc1cc(CNCCc2ccccc2F)ccc1OCc1ccc(nc1)Cl
InChi: 1S/C22H22ClFN2O2/c1-27-21-12-16(13-25-11-10-18-4-2-3-5-19(18)24)6-8-20(21)28-15-17-7-9-22(23)26-14-17/h2-9,12,14,25H,10-11,13,15H2,1H3
InChiKey: DTYPZBRQTBSMGX-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-[[4-[(6-chloro-3-pyridyl)methoxy]-3-methoxy-phenyl]methyl]-2-(2-fluorophenyl)ethanamine
N-[[4-[(6-chloro-3-pyridyl)methoxy]-3-methoxyphenyl]methyl]-2-(2-fluorophenyl)ethanamine
[4-[(6-chloro-3-pyridyl)methoxy]-3-methoxy-benzyl]-[2-(2-fluorophenyl)ethyl]amine
N-[[4-[(6-chloropyridin-3-yl)methoxy]-3-methoxy-phenyl]methyl]-2-(2-fluorophenyl)ethanamine
AP-970/42895169

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
Onchocerca volvulus	Fxna peptidase homolog	0.0018	0.0132	0.4009
Echinococcus granulosus	histone lysine N methyltransferase MLL3	0.0011	0.0059	0.0086
Schistosoma mansoni	ferritin	0.001	0.0054	0.0108
Echinococcus granulosus	glutaminyl peptide cyclotransferase	0.0018	0.0132	0.0232
Schistosoma mansoni	cpg binding protein	0.0037	0.0325	0.0648
Schistosoma mansoni	hypothetical protein	0.0019	0.0144	0.0288
Loa Loa (eye worm)	histone methyltransferase	0.0011	0.0059	0.0157
Echinococcus granulosus	cpg binding protein	0.0037	0.0325	0.0618
Schistosoma mansoni	mannosyl-oligosaccharidealpha-12-mannosidase-r el ated	0.0007	0.0016	0.0032
Schistosoma mansoni	ferritin light chain	0.001	0.0054	0.0108
Schistosoma mansoni	hypothetical protein	0.0019	0.0144	0.0288
Toxoplasma gondii	histone lysine methyltransferase SET1	0.0066	0.0623	1
Schistosoma mansoni	ferritin	0.001	0.0054	0.0108
Echinococcus multilocularis	glutaminyl peptide cyclotransferase	0.0018	0.0132	0.0116
Onchocerca volvulus	Glutaminyl cyclase homolog	0.0018	0.0132	0.4009
Schistosoma mansoni	hypothetical protein	0.0041	0.0371	0.074
Echinococcus granulosus	mixed lineage leukemia protein mll	0.0009	0.0037	0.0043
Echinococcus granulosus	histone lysine N methyltransferase MLL3	0.0009	0.0037	0.0043
Schistosoma mansoni	cpg binding protein	0.0035	0.0305	0.0608
Loa Loa (eye worm)	hypothetical protein	0.0182	0.1814	0.6553
Brugia malayi	Peptidase family M28 containing protein	0.0018	0.0132	0.2103
Leishmania major	glutaminyl cyclase, putative	0.0018	0.0132	0.5
Onchocerca volvulus	Fxna peptidase homolog	0.0018	0.0132	0.4009
Loa Loa (eye worm)	latrophilin receptor protein 2	0.0019	0.0144	0.0469
Schistosoma mansoni	ferritin	0.001	0.0054	0.0108
Schistosoma mansoni	Fxna peptidase (M28 family)	0.0018	0.0132	0.0263
Schistosoma mansoni	NAALADASE L peptidase (M28 family)	0.0175	0.1747	0.3481
Echinococcus multilocularis	endoplasmic reticulum metallopeptidase 1	0.0018	0.0132	0.0116
Echinococcus multilocularis	dnaJ subfamily B	0.0494	0.5019	0.5011
Schistosoma mansoni	glutaminyl cyclase (M28 family)	0.0018	0.0132	0.0263
Loa Loa (eye worm)	hypothetical protein	0.0274	0.276	1
Brugia malayi	latrophilin 2 splice variant baaae	0.0041	0.0371	0.6452
Echinococcus granulosus	diuretic hormone 44 receptor GPRdih2	0.0019	0.0144	0.0257
Onchocerca volvulus		0.0018	0.0132	0.4009
Loa Loa (eye worm)	hypothetical protein	0.0041	0.0371	0.1296
Schistosoma mansoni	mixed-lineage leukemia protein mll	0.0074	0.0704	0.1403
Schistosoma mansoni	mixed-lineage leukemia protein mll	0.0009	0.0037	0.0074
Echinococcus multilocularis	histone lysine N methyltransferase MLL3	0.0009	0.0037	0.0022
Toxoplasma gondii	peptidase, M28 family protein	0.0018	0.0132	0.1907
Echinococcus multilocularis	diuretic hormone 44 receptor GPRdih2	0.0019	0.0144	0.0129
Schistosoma mansoni	ferritin light chain	0.001	0.0054	0.0108
Echinococcus multilocularis	cadherin EGF LAG seven pass G type receptor	0.0019	0.0144	0.0129
Trichomonas vaginalis	Clan MH, family M28, aminopeptidase S-like metallopeptidase	0.0018	0.0132	1
Echinococcus multilocularis	n acetylated alpha linked acidic dipeptidase 2	0.0267	0.2693	0.2681
Echinococcus multilocularis	ferritin	0.001	0.0054	0.0038
Schistosoma mansoni	hypothetical protein	0.0494	0.5019	1
Onchocerca volvulus		0.0035	0.0305	1
Schistosoma mansoni	apoferritin-2	0.001	0.0054	0.0108
Echinococcus multilocularis	GPCR, family 2	0.0019	0.0144	0.0129
Trichomonas vaginalis	conserved hypothetical protein	0.0018	0.0132	1
Loa Loa (eye worm)	hypothetical protein	0.0018	0.0132	0.0422
Schistosoma mansoni	zinc finger protein	0.0007	0.0016	0.0032
Leishmania major	hypothetical protein, conserved	0.0018	0.0132	0.5
Loa Loa (eye worm)	hypothetical protein	0.0018	0.0132	0.0422
Schistosoma mansoni	hypothetical protein	0.0019	0.0144	0.0288
Treponema pallidum	bacterioferrin (TpF1)	0.001	0.0054	0.5
Echinococcus granulosus	GPCR family 2	0.0019	0.0144	0.0257
Echinococcus multilocularis	expressed protein	0.001	0.0054	0.0038
Wolbachia endosymbiont of Brugia malayi	bacterioferritin/cytochrome b1	0.001	0.0054	0.5
Trypanosoma cruzi	glutaminyl cyclase, putative	0.0018	0.0132	0.5
Loa Loa (eye worm)	hypothetical protein	0.0018	0.0132	0.0422
Trichomonas vaginalis	conserved hypothetical protein	0.0018	0.0132	1
Echinococcus granulosus	endoplasmic reticulum metallopeptidase 1	0.0018	0.0132	0.0232
Loa Loa (eye worm)	pigment dispersing factor receptor c	0.006	0.0567	0.2008
Echinococcus granulosus	ferritin	0.001	0.0054	0.0076
Mycobacterium ulcerans	lipoprotein aminopeptidase LpqL	0.0024	0.0199	1
Echinococcus multilocularis	mixed lineage leukemia protein mll	0.0009	0.0037	0.0022
Schistosoma mansoni	nicalin (M28 family)	0.0018	0.0132	0.0263
Echinococcus granulosus	cadherin EGF LAG seven pass G type receptor	0.0019	0.0144	0.0257
Trypanosoma cruzi	glutaminyl cyclase, putative	0.0018	0.0132	0.5
Trypanosoma brucei	glutaminyl cyclase, putative	0.0018	0.0132	1
Brugia malayi	calcium-independent alpha-latrotoxin receptor 2, putative	0.0019	0.0144	0.2334
Schistosoma mansoni	protease	0.0007	0.0016	0.0032
Brugia malayi	F/Y-rich N-terminus family protein	0.0011	0.0058	0.0758
Schistosoma mansoni	ferritin	0.001	0.0054	0.0108
Brugia malayi	Corticotropin releasing factor receptor 2 precursor, putative	0.006	0.0567	1
Schistosoma mansoni	apoferritin-2	0.001	0.0054	0.0108
Mycobacterium leprae	PROBABLE BACTERIOFERRITIN BFRA	0.001	0.0054	0.5
Loa Loa (eye worm)	hypothetical protein	0.0249	0.251	0.909
Toxoplasma gondii	hypothetical protein	0.0018	0.0132	0.1907
Schistosoma mansoni	glutaminyl-peptide cyclotransferase-related	0.0018	0.0132	0.0263
Mycobacterium ulcerans	hypothetical protein	0.0018	0.0132	0.5373
Schistosoma mansoni	hypothetical protein	0.0019	0.0144	0.0288
Trichomonas vaginalis	ferritin, putative	0.001	0.0054	0.2392
Loa Loa (eye worm)	hypothetical protein	0.006	0.0567	0.2008
Mycobacterium tuberculosis	Conserved protein	0.0018	0.0132	0.5373
Brugia malayi	FXNA	0.0018	0.0132	0.2103
Brugia malayi	CXXC zinc finger family protein	0.0035	0.0305	0.5246
Onchocerca volvulus	Fxna peptidase homolog	0.0018	0.0132	0.4009
Brugia malayi	Calcitonin receptor-like protein seb-1	0.006	0.0567	1
Schistosoma mansoni	zinc finger protein	0.0007	0.0016	0.0032
Echinococcus granulosus	endoplasmic reticulum metallopeptidase 1	0.0018	0.0132	0.0232
Schistosoma mansoni	cpg binding protein	0.0037	0.0325	0.0648
Brugia malayi	leucyl aminopeptidase	0.0018	0.0132	0.2103
Loa Loa (eye worm)	hypothetical protein	0.0019	0.0144	0.0469
Echinococcus granulosus	expressed protein	0.001	0.0054	0.0076
Echinococcus multilocularis	endoplasmic reticulum metallopeptidase 1	0.0018	0.0132	0.0116
Brugia malayi	nicalin	0.0018	0.0132	0.2103
Loa Loa (eye worm)	CXXC zinc finger family protein	0.0035	0.0305	0.1053
Echinococcus multilocularis	histone lysine N methyltransferase MLL3	0.0011	0.0059	0.0043
Mycobacterium tuberculosis	Probable lipoprotein aminopeptidase LpqL	0.0024	0.0199	1
Trichomonas vaginalis	conserved hypothetical protein	0.0018	0.0132	1
Echinococcus multilocularis	cpg binding protein	0.0037	0.0325	0.031
Loa Loa (eye worm)	leucyl aminopeptidase	0.0018	0.0132	0.0422
Echinococcus granulosus	dnaJ subfamily B	0.0494	0.5019	1
Brugia malayi	Latrophilin receptor protein 2	0.0019	0.0144	0.2334

Activities

Activity type	Activity value	Assay description	Source	Reference
EC50 (functional)	= 18 uM	Antiproliferative activity against human HeLa cells assessed as growth inhibition after 24 to 72 hrs	ChEMBL.	25304894

Phenotypes

Whole-cell/tissue/organism interactions

Species name	Source	Reference	Is orphan
Homo sapiens	ChEMBL23	25304894

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: CHEMBL1619380

Bibliographic References

No literature references available for this target.

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Detailed information for compound 1479068