TDR Targets

Basic information

Technical information

TDR Targets ID: 1754112
Name: N-[[5-chloro-2-[(4-fluorophenyl)methoxy]pheny l]methyl]-1-piperidin-4-ylmethanamine
MW: 362.869 | Formula: C20H24ClFN2O
H donors: 2 H acceptors: 0 LogP: 3.8 Rotable bonds: 7
Rule of 5 violations (Lipinski): 1
SMILES: Clc1ccc(c(c1)CNCC1CCNCC1)OCc1ccc(cc1)F
InChi: 1S/C20H24ClFN2O/c21-18-3-6-20(25-14-16-1-4-19(22)5-2-16)17(11-18)13-24-12-15-7-9-23-10-8-15/h1-6,11,15,23-24H,7-10,12-14H2
InChiKey: ZOCQKJFMFYDDIH-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-[[5-chloro-2-[(4-fluorophenyl)methoxy]phenyl]methyl]-1-(4-piperidyl)methanamine
N-[[5-chloro-2-[(4-fluorophenyl)methoxy]phenyl]methyl]-1-(4-piperidinyl)methanamine
[5-chloro-2-(4-fluorobenzyl)oxy-benzyl]-(4-piperidylmethyl)amine
N-[[5-chloro-2-[(4-fluorophenyl)methoxy]phenyl]methyl]-1-piperidin-4-yl-methanamine
N-{5-chloro-2-[(4-fluorobenzyl)oxy]benzyl}-N-(4-piperidinylmethyl)amine
STK285900
AN-465/43384168

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
Trichomonas vaginalis	Clan CA, family C1, papain-like cysteine peptidase	0.0465	0.6852	1
Echinococcus multilocularis	cathepsin l cysteine peptidase	0.0465	0.6852	0.5837
Trichomonas vaginalis	Clan CA, family C1, cathepsin L-like cysteine peptidase	0.0465	0.6852	1
Onchocerca volvulus		0.0465	0.6852	1
Loa Loa (eye worm)	cysteine protease	0.0465	0.6852	0.671
Onchocerca volvulus		0.0465	0.6852	1
Onchocerca volvulus		0.0465	0.6852	1
Trypanosoma brucei	cysteine peptidase, Clan CA, family C1, Cathepsin L-like	0.0465	0.6852	1
Loa Loa (eye worm)	hypothetical protein	0.0316	0.3844	0.3565
Schistosoma mansoni	cathepsin B-like peptidase (C01 family)	0.062	1	1
Trichomonas vaginalis	Clan CA, family C1, cathepsin L-like cysteine peptidase	0.0465	0.6852	1
Trichomonas vaginalis	Clan CA, family C1, cathepsin L-like cysteine peptidase	0.0465	0.6852	1
Entamoeba histolytica	cysteine proteinase, putative	0.0465	0.6852	1
Trypanosoma cruzi	cysteine peptidase (N-terminal), putative	0.0247	0.244	0.2097
Loa Loa (eye worm)	ctsf protein	0.0465	0.6852	0.671
Schistosoma mansoni	cathepsin F (C01 family)	0.0465	0.6852	0.6852
Echinococcus granulosus	cathepsin l1	0.0465	0.6852	0.5837
Schistosoma mansoni	cathepsin F (C01 family)	0.0465	0.6852	0.6852
Trypanosoma cruzi	cysteine peptidase, putative	0.0465	0.6852	0.671
Schistosoma mansoni	cathepsin B-like peptidase (C01 family)	0.062	1	1
Trichomonas vaginalis	Clan CA, family C1, papain-like cysteine peptidase	0.0465	0.6852	1
Toxoplasma gondii	cathepsin CPL	0.0465	0.6852	1
Echinococcus granulosus	cathepsin b	0.062	1	1
Echinococcus multilocularis	cysteine protease	0.0465	0.6852	0.5837
Trichomonas vaginalis	Clan CA, family C1, papain-like cysteine peptidase	0.0465	0.6852	1
Leishmania major	cathepsin L-like protease	0.0465	0.6852	1
Loa Loa (eye worm)	papain family cysteine protease containing protein	0.0465	0.6852	0.671
Trichomonas vaginalis	Clan CA, family C1, cathepsin L-like cysteine peptidase	0.0465	0.6852	1
Plasmodium vivax	unspecified product	0.0247	0.244	0.3126
Trichomonas vaginalis	Clan CA, family C1, cathepsin L-like cysteine peptidase	0.0465	0.6852	1
Trichomonas vaginalis	Clan CA, family C1, cathepsin L-like cysteine peptidase	0.0465	0.6852	1
Schistosoma mansoni	SmCL2-like peptidase (C01 family)	0.0247	0.244	0.244
Trypanosoma cruzi	cysteine protease, putative	0.0247	0.244	0.2097
Loa Loa (eye worm)	Papain cysteine protease/cathepsin propeptide inhibitor-containing protein	0.0465	0.6852	0.671
Echinococcus multilocularis	cathepsin b	0.062	1	1
Entamoeba histolytica	cysteine protease, putative	0.0465	0.6852	1
Trypanosoma brucei	cysteine peptidase, Clan CA, family C1, Cathepsin L-like	0.0465	0.6852	1
Trichomonas vaginalis	Clan CA, family C1, cathepsin B-like cysteine peptidase	0.026	0.27	0.0589
Echinococcus granulosus	cathepsin b	0.062	1	1
Leishmania major	cathepsin L-like protease	0.0465	0.6852	1
Echinococcus multilocularis	cathepsin l cysteine peptidase	0.0465	0.6852	0.5837
Trypanosoma cruzi	cysteine proteinase, putative	0.0247	0.244	0.2097
Trichomonas vaginalis	Clan CA, family C1, cathepsin L-like cysteine peptidase	0.0465	0.6852	1
Trypanosoma brucei	cysteine peptidase, Clan CA, family C1, Cathepsin L-like	0.0465	0.6852	1
Plasmodium vivax	vivapain-3	0.0247	0.244	0.3126
Trichomonas vaginalis	Clan CA, family C1, cathepsin L-like cysteine peptidase	0.0316	0.3844	0.3182
Echinococcus multilocularis	cysteine protease	0.0465	0.6852	0.5837
Brugia malayi	Cathepsin L-like precursor	0.0465	0.6852	0.671
Trichomonas vaginalis	Clan CA, family C1, papain-like cysteine peptidase	0.0465	0.6852	1
Trypanosoma cruzi	cysteine peptidase, putative	0.0465	0.6852	0.671
Brugia malayi	Papain family cysteine protease containing protein	0.0247	0.244	0.2097
Trichomonas vaginalis	Clan CA, family C1, cathepsin L or K-like cysteine peptidase	0.0465	0.6852	1
Loa Loa (eye worm)	hypothetical protein	0.0465	0.6852	0.671
Trypanosoma cruzi	cysteine peptidase, putative	0.0465	0.6852	0.671
Trypanosoma brucei	cysteine peptidase, Clan CA, family C1, Cathepsin L-like	0.0465	0.6852	1
Brugia malayi	Cathepsin L-like precursor	0.0465	0.6852	0.671
Echinococcus granulosus	cathepsin l cysteine peptidase	0.0465	0.6852	0.5837
Giardia lamblia	Cathepsin B precursor	0.026	0.27	0.5
Echinococcus multilocularis	cathepsin L cysteine protease	0.0465	0.6852	0.5837
Trypanosoma brucei	cysteine peptidase, Clan CA, family C1, Cathepsin L-like	0.0465	0.6852	1
Trichomonas vaginalis	Clan CA, family C1, cathepsin L-like cysteine peptidase	0.0465	0.6852	1
Trichomonas vaginalis	Clan CA, family C1, papain-like cysteine peptidase	0.0465	0.6852	1
Schistosoma mansoni	SmCL2-like peptidase (C01 family)	0.0247	0.244	0.244
Schistosoma mansoni	cathepsin F (C01 family)	0.0316	0.3844	0.3844
Brugia malayi	Papain family cysteine protease containing protein	0.0247	0.244	0.2097
Trichomonas vaginalis	Clan CA, family C1, papain-like cysteine peptidase	0.0465	0.6852	1
Schistosoma mansoni	SmCL2-like peptidase (C01 family)	0.0247	0.244	0.244
Plasmodium falciparum	cysteine proteinase falcipain 3	0.0465	0.6852	1
Leishmania major	cysteine peptidase A (CPA)	0.0465	0.6852	1
Trichomonas vaginalis	Clan CA, family C1, cathepsin L-like cysteine peptidase	0.0316	0.3844	0.3182
Schistosoma mansoni	cathepsin s	0.0148	0.0433	0.0433
Trypanosoma cruzi	cysteine peptidase, putative	0.0247	0.244	0.2097
Brugia malayi	Cathepsin L-like precursor	0.0316	0.3844	0.3565
Plasmodium falciparum	cysteine proteinase falcipain 2b	0.0465	0.6852	1
Trypanosoma cruzi	cysteine peptidase, putative	0.0465	0.6852	0.671
Brugia malayi	Cathepsin L-like precursor	0.0316	0.3844	0.3565
Giardia lamblia	Cathepsin B precursor	0.026	0.27	0.5
Plasmodium vivax	vivapain-2	0.0465	0.6852	1
Loa Loa (eye worm)	fibroinase	0.0465	0.6852	0.671
Trypanosoma brucei	cysteine peptidase C (CPC)	0.026	0.27	0.0589
Brugia malayi	Cathepsin L-like cysteine proteinase	0.0316	0.3844	0.3565
Plasmodium falciparum	cysteine proteinase falcipain 2a	0.0465	0.6852	1
Echinococcus multilocularis	cathepsin L cysteine protease	0.0465	0.6852	0.5837
Trichomonas vaginalis	Clan CA, family C1, cathepsin L-like cysteine peptidase	0.0465	0.6852	1
Trypanosoma brucei	cysteine peptidase, Clan CA, family C1, Cathepsin L-like	0.0465	0.6852	1
Schistosoma mansoni	SmCB2 peptidase (C01 family)	0.062	1	1
Loa Loa (eye worm)	cathepsin B	0.026	0.27	0.2369
Onchocerca volvulus		0.0465	0.6852	1
Entamoeba histolytica	cysteine proteinase, putative	0.0316	0.3844	0.3182
Entamoeba histolytica	cysteine proteinase, putative	0.0465	0.6852	1
Trichomonas vaginalis	Clan CA, family C1, cathepsin L-like cysteine peptidase	0.0465	0.6852	1
Onchocerca volvulus		0.0465	0.6852	1
Brugia malayi	Cathepsin L-like precursor	0.0465	0.6852	0.671
Echinococcus granulosus	cathepsin l1	0.0316	0.3844	0.1857
Brugia malayi	Cathepsin L-like precursor	0.0465	0.6852	0.671
Brugia malayi	Cathepsin L-like precursor	0.0465	0.6852	0.671
Brugia malayi	Cathepsin L-like precursor	0.0465	0.6852	0.671
Trypanosoma brucei	cysteine peptidase, Clan CA, family C1, Cathepsin L-like	0.0465	0.6852	1
Trichomonas vaginalis	Clan CA, family C1, papain-like cysteine peptidase	0.0465	0.6852	1
Trypanosoma brucei	cysteine peptidase, Clan CA, family C1, Cathepsin L-like	0.0465	0.6852	1
Onchocerca volvulus	Cathepsin L homolog	0.0465	0.6852	1
Brugia malayi	cathepsin L-like precursor	0.0316	0.3844	0.3565
Trichomonas vaginalis	Clan CA, family C1, papain-like cysteine peptidase	0.0465	0.6852	1
Trypanosoma brucei	cysteine peptidase, Clan CA, family C1, Cathepsin L-like	0.0465	0.6852	1
Leishmania major	cathepsin L-like protease	0.0465	0.6852	1
Leishmania major	cathepsin L-like protease	0.0465	0.6852	1
Plasmodium vivax	vivapain-2	0.0465	0.6852	1
Leishmania major	cathepsin L-like protease	0.0465	0.6852	1
Loa Loa (eye worm)	hypothetical protein	0.0316	0.3844	0.3565
Trichomonas vaginalis	Clan CA, family C1, papain-like cysteine peptidase	0.0465	0.6852	1
Giardia lamblia	Cathepsin B precursor	0.026	0.27	0.5
Brugia malayi	Papain family cysteine protease containing protein	0.0465	0.6852	0.671
Trichomonas vaginalis	Clan CA, family C1, cathepsin L-like cysteine peptidase	0.0465	0.6852	1
Schistosoma mansoni	cathepsin B-like peptidase (C01 family)	0.026	0.27	0.27
Trypanosoma cruzi	cysteine proteinase, putative	0.0247	0.244	0.2097
Schistosoma mansoni	cathepsin B-like peptidase (C01 family)	0.062	1	1
Leishmania major	cathepsin L-like protease	0.0465	0.6852	1
Echinococcus multilocularis	cathepsin b	0.062	1	1
Trypanosoma brucei	cysteine peptidase, Clan CA, family C1, Cathepsin L-like	0.0465	0.6852	1
Leishmania major	cathepsin L-like protease	0.0465	0.6852	1
Trypanosoma cruzi	cysteine peptidase C (CPC), putative	0.026	0.27	0.2369
Trichomonas vaginalis	Clan CA, family C1, cathepsin L-like cysteine peptidase	0.0465	0.6852	1
Onchocerca volvulus	Cathepsin F homolog	0.0465	0.6852	1
Loa Loa (eye worm)	hypothetical protein	0.0316	0.3844	0.3565
Onchocerca volvulus	Cathepsin L homolog	0.0465	0.6852	1
Trypanosoma brucei	cysteine peptidase, Clan CA, family C1, Cathepsin L-like	0.0465	0.6852	1
Trypanosoma cruzi	cruzipain precursor, putative	0.0465	0.6852	0.671
Loa Loa (eye worm)	hypothetical protein	0.062	1	1
Trypanosoma cruzi	cysteine peptidase C (CPC), putative	0.062	1	1
Echinococcus granulosus	cathepsin L cysteine proteinase	0.0465	0.6852	0.5837
Leishmania major	cathepsin L-like protease	0.0465	0.6852	1
Trypanosoma cruzi	cysteine peptidase, clan CA, family C1, cathepsin L-like, putative	0.0316	0.3844	0.3565
Plasmodium vivax	vivapain-1	0.0247	0.244	0.3126
Trichomonas vaginalis	Clan CA, family C1, cathepsin L-like cysteine peptidase	0.0465	0.6852	1
Onchocerca volvulus		0.0465	0.6852	1
Trichomonas vaginalis	Clan CA, family C1, cathepsin L-like cysteine peptidase	0.0465	0.6852	1
Trichomonas vaginalis	Clan CA, family C1, cathepsin L or K-like cysteine peptidase	0.0465	0.6852	1
Onchocerca volvulus		0.0465	0.6852	1

Activities

Activity type	Activity value	Assay description	Source	Reference
Inhibition (binding)		Inhibition of IFN-gamma-induced STAT1 (unknown origin) at 10 uM	ChEMBL.	23434226
Inhibition (binding)	= -20.4 %	Inhibition of IL-6-induced STAT3 pathway in human HepG2 cells at 10 uM by luciferase reporter gene assay	ChEMBL.	23434226
Inhibition (functional)	= 38.78 %	Cytotoxicity against human MDA-MB-468 cells assessed as inhibition of cell viability at 10 uM	ChEMBL.	23434226

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: CHEMBL2347251

Bibliographic References

1 literature reference was collected for this gene.

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

Detailed information for compound 1754112