TDR Targets

Basic information

Technical information

TDR Targets ID: 605590
Name: N-[2-(3-chlorophenyl)ethyl]-1-(2-phenylethyl) piperidin-4-amine
MW: 342.905 | Formula: C21H27ClN2
H donors: 1 H acceptors: 0 LogP: 4.93 Rotable bonds: 7
Rule of 5 violations (Lipinski): 1
SMILES: Clc1cccc(c1)CCNC1CCN(CC1)CCc1ccccc1
InChi: 1S/C21H27ClN2/c22-20-8-4-7-19(17-20)9-13-23-21-11-15-24(16-12-21)14-10-18-5-2-1-3-6-18/h1-8,17,21,23H,9-16H2
InChiKey: YFJINUVHQPWVGD-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-(3-chlorophenyl)ethyl]-1-(2-phenylethyl)-4-piperidinamine
2-(3-chlorophenyl)ethyl-[1-(2-phenylethyl)-4-piperidyl]amine
Oprea1_723352

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
Brugia malayi	Cathepsin L-like precursor	0.0173432	0.368047	0.707342
Leishmania major	cathepsin L-like protease	0.0173432	0.368047	1
Trypanosoma brucei	cysteine peptidase, Clan CA, family C1, Cathepsin L-like	0.0173432	0.368047	1
Trichomonas vaginalis	Clan CA, family C1, papain-like cysteine peptidase	0.0173432	0.368047	0.698696
Onchocerca volvulus		0.0173432	0.368047	1
Trypanosoma brucei	cysteine peptidase, Clan CA, family C1, Cathepsin L-like	0.0173432	0.368047	1
Loa Loa (eye worm)	cysteine protease	0.0173432	0.368047	0.664706
Entamoeba histolytica	cysteine proteinase, putative	0.0173432	0.368047	1
Trichomonas vaginalis	Clan CA, family C1, papain-like cysteine peptidase	0.0173432	0.368047	0.698696
Trichomonas vaginalis	Clan CA, family C1, cathepsin B-like cysteine peptidase	0.0208241	0.526762	1
Schistosoma mansoni	cathepsin B-like peptidase (C01 family)	0.0206829	0.520324	0.520324
Trichomonas vaginalis	Clan CA, family C1, cathepsin L-like cysteine peptidase	0.0173432	0.368047	0.698696
Trichomonas vaginalis	Clan CA, family C1, cathepsin L-like cysteine peptidase	0.0173432	0.368047	0.698696
Loa Loa (eye worm)	hypothetical protein	0.0118396	0.117106	0.112165
Trypanosoma cruzi	cysteine peptidase C (CPC), putative	0.0206829	0.520324	1
Plasmodium falciparum	cysteine proteinase falcipain 2a	0.0173432	0.368047	0.368047
Plasmodium vivax	dipeptidyl aminopeptidase 3, putative	0.0141466	0.222297	0.222297
Trichomonas vaginalis	Clan CA, family C1, cathepsin L-like cysteine peptidase	0.0173432	0.368047	0.698696
Brugia malayi	Cathepsin L-like cysteine proteinase	0.0118396	0.117106	0.225063
Echinococcus multilocularis	cysteine protease	0.0173432	0.368047	0.707342
Onchocerca volvulus	Cathepsin L homolog	0.0173432	0.368047	1
Echinococcus granulosus	cathepsin l cysteine peptidase	0.0173432	0.368047	0.707342
Plasmodium vivax	vivapain-2	0.0173432	0.368047	0.368047
Trichomonas vaginalis	Clan CA, family C1, cathepsin B-like cysteine peptidase	0.0107223	0.066165	0.125607
Echinococcus granulosus	cathepsin b	0.0206829	0.520324	1
Plasmodium falciparum	dipeptidyl aminopeptidase 3	0.0141466	0.222297	0.222297
Trypanosoma cruzi	cysteine peptidase, putative	0.0173432	0.368047	0.707342
Leishmania major	cathepsin L-like protease	0.0173432	0.368047	1
Trichomonas vaginalis	Clan CA, family C1, cathepsin L-like cysteine peptidase	0.0118396	0.117106	0.222312
Loa Loa (eye worm)	fibroinase	0.0173432	0.368047	0.664706
Brugia malayi	Cathepsin L-like precursor	0.0173432	0.368047	0.707342
Trypanosoma brucei	cysteine peptidase, Clan CA, family C1, Cathepsin L-like	0.0173432	0.368047	1
Loa Loa (eye worm)	hypothetical protein	0.0206829	0.520324	1
Trichomonas vaginalis	Clan CA, family C1, papain-like cysteine peptidase	0.0173432	0.368047	0.698696
Brugia malayi	Cathepsin L-like precursor	0.0173432	0.368047	0.707342
Onchocerca volvulus	Cathepsin L homolog	0.0173432	0.368047	1
Toxoplasma gondii	cathepsin CPC2	0.0141466	0.222297	0.167194
Leishmania major	cathepsin L-like protease	0.0173432	0.368047	1
Toxoplasma gondii	cathepsin CPC1	0.031203	1	1
Schistosoma mansoni	cathepsin F (C01 family)	0.0173432	0.368047	0.368047
Trypanosoma cruzi	cysteine peptidase, putative	0.0173432	0.368047	0.707342
Trichomonas vaginalis	Clan CA, family C1, cathepsin L-like cysteine peptidase	0.0173432	0.368047	0.698696
Trypanosoma brucei	cysteine peptidase, Clan CA, family C1, Cathepsin L-like	0.0173432	0.368047	1
Trypanosoma cruzi	cysteine peptidase, putative	0.0173432	0.368047	0.707342
Onchocerca volvulus		0.0173432	0.368047	1
Leishmania major	cathepsin L-like protease	0.0173432	0.368047	1
Onchocerca volvulus		0.0173432	0.368047	1
Schistosoma mansoni	cathepsin F (C01 family)	0.0173432	0.368047	0.368047
Plasmodium falciparum	cysteine proteinase falcipain 2b	0.0173432	0.368047	0.368047
Trichomonas vaginalis	Clan CA, family C1, cathepsin L-like cysteine peptidase	0.0173432	0.368047	0.698696
Brugia malayi	Papain family cysteine protease containing protein	0.0173432	0.368047	0.707342
Schistosoma mansoni	cathepsin B-like peptidase (C01 family)	0.0206829	0.520324	0.520324
Echinococcus multilocularis	cysteine protease	0.0173432	0.368047	0.707342
Trichomonas vaginalis	Clan CA, family C1, papain-like cysteine peptidase	0.0173432	0.368047	0.698696
Brugia malayi	cathepsin B-like cysteine proteinase	0.0206829	0.520324	1
Plasmodium vivax	vivapain-2	0.0173432	0.368047	0.368047
Plasmodium falciparum	dipeptidyl aminopeptidase 1	0.031203	1	1
Schistosoma mansoni	cathepsin B-like peptidase (C01 family)	0.0107223	0.066165	0.066165
Toxoplasma gondii	preprocathepsin c precursor, putative	0.031203	1	1
Brugia malayi	Cathepsin L-like precursor	0.0173432	0.368047	0.707342
Onchocerca volvulus		0.0173432	0.368047	1
Trypanosoma cruzi	cysteine peptidase C (CPC), putative	0.0107223	0.066165	0.127161
Giardia lamblia	Dipeptidyl-peptidase I precursor	0.031203	1	1
Giardia lamblia	Dipeptidyl-peptidase I precursor	0.0141466	0.222297	0.167194
Trichomonas vaginalis	Clan CA, family C1, cathepsin L-like cysteine peptidase	0.0173432	0.368047	0.698696
Trichomonas vaginalis	Clan CA, family C1, cathepsin L-like cysteine peptidase	0.0173432	0.368047	0.698696
Trichomonas vaginalis	Clan CA, family C1, cathepsin L-like cysteine peptidase	0.0173432	0.368047	0.698696
Echinococcus multilocularis	cathepsin l cysteine peptidase	0.0173432	0.368047	0.707342
Toxoplasma gondii	cathepsin CPL	0.0173432	0.368047	0.323271
Trichomonas vaginalis	Clan CA, family C1, cathepsin L or K-like cysteine peptidase	0.0173432	0.368047	0.698696
Loa Loa (eye worm)	hypothetical protein	0.0118396	0.117106	0.112165
Brugia malayi	cathepsin L-like precursor	0.0118396	0.117106	0.225063
Echinococcus multilocularis	cathepsin L cysteine protease	0.0173432	0.368047	0.707342
Schistosoma mansoni	SmCB2 peptidase (C01 family)	0.0206829	0.520324	0.520324
Trypanosoma brucei	cysteine peptidase, Clan CA, family C1, Cathepsin L-like	0.0173432	0.368047	1
Trichomonas vaginalis	Clan CA, family C1, cathepsin L-like cysteine peptidase	0.0173432	0.368047	0.698696
Brugia malayi	Cathepsin L-like precursor	0.0173432	0.368047	0.707342
Loa Loa (eye worm)	Papain cysteine protease/cathepsin propeptide inhibitor-containing protein	0.0173432	0.368047	0.664706
Entamoeba histolytica	cysteine proteinase, putative	0.0173432	0.368047	1
Onchocerca volvulus		0.0173432	0.368047	1
Trypanosoma brucei	cysteine peptidase, Clan CA, family C1, Cathepsin L-like	0.0173432	0.368047	1
Giardia lamblia	Dipeptidyl-peptidase I precursor	0.0141466	0.222297	0.167194
Echinococcus granulosus	cathepsin b	0.0206829	0.520324	1
Onchocerca volvulus		0.0173432	0.368047	1
Trichomonas vaginalis	Clan CA, family C1, papain-like cysteine peptidase	0.0173432	0.368047	0.698696
Trichomonas vaginalis	Clan CA, family C1, cathepsin L-like cysteine peptidase	0.0173432	0.368047	0.698696
Onchocerca volvulus	Cathepsin F homolog	0.0173432	0.368047	1
Trypanosoma brucei	cysteine peptidase, Clan CA, family C1, Cathepsin L-like	0.0173432	0.368047	1
Trichomonas vaginalis	Clan CA, family C1, cathepsin L-like cysteine peptidase	0.0173432	0.368047	0.698696
Trichomonas vaginalis	Clan CA, family C1, cathepsin L-like cysteine peptidase	0.0173432	0.368047	0.698696
Leishmania major	cathepsin L-like protease	0.0173432	0.368047	1
Trypanosoma cruzi	cysteine peptidase, clan CA, family C1, cathepsin L-like, putative	0.0118396	0.117106	0.225063
Trypanosoma brucei	cysteine peptidase, Clan CA, family C1, Cathepsin L-like	0.0173432	0.368047	1
Echinococcus multilocularis	cathepsin l cysteine peptidase	0.0173432	0.368047	0.707342
Trypanosoma brucei	cysteine peptidase, Clan CA, family C1, Cathepsin L-like	0.0173432	0.368047	1
Leishmania major	cathepsin L-like protease	0.0173432	0.368047	1
Echinococcus granulosus	cathepsin L cysteine proteinase	0.0173432	0.368047	0.707342
Trichomonas vaginalis	Clan CA, family C1, cathepsin L-like cysteine peptidase	0.0173432	0.368047	0.698696
Trypanosoma cruzi	cruzipain precursor, putative	0.0173432	0.368047	0.707342
Echinococcus granulosus	cathepsin l1	0.0118396	0.117106	0.225063
Trichomonas vaginalis	Clan CA, family C1, cathepsin L-like cysteine peptidase	0.0118396	0.117106	0.222312
Entamoeba histolytica	cysteine protease, putative	0.0173432	0.368047	1
Loa Loa (eye worm)	papain family cysteine protease containing protein	0.0173432	0.368047	0.664706
Loa Loa (eye worm)	hypothetical protein	0.0173432	0.368047	0.664706
Brugia malayi	Cathepsin L-like precursor	0.0118396	0.117106	0.225063
Trichomonas vaginalis	Clan CA, family C1, cathepsin L or K-like cysteine peptidase	0.0173432	0.368047	0.698696
Trichomonas vaginalis	Clan CA, family C1, papain-like cysteine peptidase	0.0173432	0.368047	0.698696
Leishmania major	cathepsin L-like protease	0.0173432	0.368047	1
Brugia malayi	Cathepsin L-like precursor	0.0173432	0.368047	0.707342
Loa Loa (eye worm)	ctsf protein	0.0173432	0.368047	0.664706
Leishmania major	cathepsin L-like protease	0.0173432	0.368047	1
Plasmodium falciparum	cysteine proteinase falcipain 3	0.0173432	0.368047	0.368047
Entamoeba histolytica	cysteine proteinase, putative	0.0118396	0.117106	0.318182
Schistosoma mansoni	cathepsin B-like peptidase (C01 family)	0.0206829	0.520324	0.520324
Trypanosoma brucei	cysteine peptidase, Clan CA, family C1, Cathepsin L-like	0.0173432	0.368047	1
Onchocerca volvulus		0.0173432	0.368047	1
Trichomonas vaginalis	Clan CA, family C1, papain-like cysteine peptidase	0.0173432	0.368047	0.698696
Brugia malayi	Cathepsin L-like precursor	0.0118396	0.117106	0.225063
Loa Loa (eye worm)	hypothetical protein	0.0118396	0.117106	0.112165
Trichomonas vaginalis	Clan CA, family C1, papain-like cysteine peptidase	0.0173432	0.368047	0.698696
Trichomonas vaginalis	Clan CA, family C1, papain-like cysteine peptidase	0.0173432	0.368047	0.698696
Echinococcus multilocularis	cathepsin L cysteine protease	0.0173432	0.368047	0.707342
Trypanosoma brucei	cysteine peptidase, Clan CA, family C1, Cathepsin L-like	0.0173432	0.368047	1
Giardia lamblia	Encystation-specific protease	0.0141466	0.222297	0.167194
Echinococcus granulosus	cathepsin l1	0.0173432	0.368047	0.707342
Echinococcus multilocularis	cathepsin b	0.0206829	0.520324	1
Trypanosoma brucei	cysteine peptidase C (CPC)	0.0107223	0.066165	0.179773
Plasmodium vivax	dipeptidyl aminopeptidase 2, putative	0.031203	1	1
Plasmodium falciparum	dipeptidyl aminopeptidase 2	0.031203	1	1
Leishmania major	cysteine peptidase A (CPA)	0.0173432	0.368047	1
Schistosoma mansoni	dipeptidyl-peptidase I (C01 family)	0.031203	1	1
Trypanosoma cruzi	cysteine peptidase, putative	0.0173432	0.368047	0.707342
Trichomonas vaginalis	Clan CA, family C1, cathepsin L-like cysteine peptidase	0.0173432	0.368047	0.698696
Plasmodium vivax	dipeptidyl aminopeptidase 1, putative	0.031203	1	1
Echinococcus multilocularis	cathepsin b	0.0206829	0.520324	1
Schistosoma mansoni	cathepsin F (C01 family)	0.0118396	0.117106	0.117106

Activities

Activity type	Activity value	Assay description	Source	Reference
CC50 (functional)	= 12.43 uM	Huh7 cytotoxicity for Pf inhibitors	Novartis-GNF Malaria Box.	No reference
CC50	= 12.43 uM	NOVARTIS: Cytotoxicity against human hepatocellular carcinoma cell line (Huh7)	ChEMBL.	18579783
EC50 (functional)	= 0.1699 uM	PF proliferation inhibition 3D7	Novartis-GNF Malaria Box.	No reference
EC50 (functional)	= 0.1699 uM	NOVARTIS: Inhibition of Plasmodium falciparum 3D7 (drug-susceptible) proliferation in erythrocyte-based infection assay	ChEMBL.	18579783
EC50 (functional)	= 0.651 uM	W2 Pf proliferation inhibition	Novartis-GNF Malaria Box.	No reference
EC50 (functional)	= 0.651 uM	NOVARTIS: Inhibition of Plasmodium falciparum W2 (drug-resistant) proliferation in erythrocyte-based infection assay	ChEMBL.	18579783
IFI promiscuity index	= 0.02344	IFI promiscuity index	Novartis-GNF Malaria Box.	No reference

Phenotypes

Whole-cell/tissue/organism interactions

Species name	Source	Reference	Is orphan
Plasmodium falciparum	ChEMBL23	18579783

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: CHEMBL581841
Search by Novartis-GNF Malaria Box

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 605590