TDR Targets

Basic information

Technical information

TDR Targets ID: 261150
Name: 2-[[3-(4-hydroxyphenyl)propylamino]methyl]-N- (4-phenylbutyl)benzamide
MW: 416.555 | Formula: C27H32N2O2
H donors: 3 H acceptors: 2 LogP: 5.2 Rotable bonds: 13
Rule of 5 violations (Lipinski): 1
SMILES: Oc1ccc(cc1)CCCNCc1ccccc1C(=O)NCCCCc1ccccc1
InChi: 1S/C27H32N2O2/c30-25-17-15-23(16-18-25)12-8-19-28-21-24-13-4-5-14-26(24)27(31)29-20-7-6-11-22-9-2-1-3-10-22/h1-5,9-10,13-18,28,30H,6-8,11-12,19-21H2,(H,29,31)
InChiKey: RKSIDDXPVSIRCB-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

Species	Target name	Source	Bibliographic reference
Homo sapiens	solute carrier family 6 (neurotransmitter transporter), member 5	Starlite/ChEMBL	References

Predicted pathogen targets for this compound

By orthology

Species	Potential target	Known druggable target/s	Ortholog Group
Loa Loa (eye worm)	Sodium:neurotransmitter symporter family protein	Get druggable targets OG5_128673	All targets in OG5_128673
Schistosoma japonicum	Sodium- and chloride-dependent glycine transporter 1, putative	Get druggable targets OG5_128673	All targets in OG5_128673
Echinococcus multilocularis	sodium and chloride dependent glycine	Get druggable targets OG5_128673	All targets in OG5_128673
Schistosoma japonicum	Sodium-dependent proline transporter, putative	Get druggable targets OG5_128673	All targets in OG5_128673
Loa Loa (eye worm)	hypothetical protein	Get druggable targets OG5_128673	All targets in OG5_128673
Schistosoma mansoni	sodium/chloride dependent transporter	Get druggable targets OG5_128673	All targets in OG5_128673
Echinococcus granulosus	sodium and chloride dependent glycine	Get druggable targets OG5_128673	All targets in OG5_128673
Brugia malayi	Sodium:neurotransmitter symporter family protein	Get druggable targets OG5_128673	All targets in OG5_128673
Schistosoma mansoni	sodium/chloride dependent transporter	Get druggable targets OG5_128673	All targets in OG5_128673
Echinococcus granulosus	sodium and chloride dependent glycine	Get druggable targets OG5_128673	All targets in OG5_128673
Schistosoma japonicum	Sodium- and chloride-dependent glycine transporter 1, putative	Get druggable targets OG5_128673	All targets in OG5_128673
Echinococcus multilocularis	sodium and chloride dependent glycine	Get druggable targets OG5_128673	All targets in OG5_128673
Loa Loa (eye worm)	hypothetical protein	Get druggable targets OG5_128673	All targets in OG5_128673
Schistosoma japonicum	ko:K05042 solute carrier family 6 (neurotransmitter transporter, glycine),, putative	Get druggable targets OG5_128673	All targets in OG5_128673

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
Leishmania major	puromycin-sensitive aminopeptidase-like protein,metallo-peptidase, Clan MA(E), Family M1	0.0038	0.0281	1
Loa Loa (eye worm)	nucleolar RNA-associated protein alpha	0.0302	0.4032	0.4032
Chlamydia trachomatis	Ssodium-dependent amino acid transporter	0.0019	0	0.5
Brugia malayi	Peptidase family M1 containing protein	0.0038	0.0281	0.0631
Schistosoma mansoni	cytosol alanyl aminopeptidase (M01 family)	0.0038	0.0281	0.0281
Loa Loa (eye worm)	hypothetical protein	0.0038	0.0281	0.0281
Loa Loa (eye worm)	hypothetical protein	0.0033	0.0211	0.0211
Mycobacterium tuberculosis	Possible penicillin-binding protein	0.0226	0.2947	1
Schistosoma mansoni	transcription factor LCR-F1	0.0035	0.0238	0.0238
Schistosoma mansoni	ubiquitin-specific peptidase 2 (C19 family)	0.0036	0.0252	0.0252
Echinococcus granulosus	sodium and chloride dependent glycine	0.0096	0.1094	0.1094
Plasmodium falciparum	M1-family alanyl aminopeptidase	0.0038	0.0281	1
Trypanosoma brucei	hypothetical protein, conserved	0.0035	0.0238	0.8284
Echinococcus multilocularis	aminopeptidase N	0.0038	0.0281	0.0281
Loa Loa (eye worm)	hypothetical protein	0.0035	0.0238	0.0238
Trichomonas vaginalis	penicillin-binding protein, putative	0.0035	0.0238	0.8284
Mycobacterium ulcerans	aminopeptidase N PepN	0.0038	0.0281	0.0244
Schistosoma mansoni	sodium/chloride dependent transporter	0.0096	0.1094	0.1094
Brugia malayi	RNA, U transporter 1	0.008	0.088	0.1976
Plasmodium falciparum	importin beta, putative	0.0028	0.0138	0.4916
Trypanosoma cruzi	puromycin-sensitive aminopeptidase-like protein, putative	0.0038	0.0281	1
Trypanosoma cruzi	metallo-peptidase, Clan MA(E) Family M1	0.0038	0.0281	1
Loa Loa (eye worm)	Sodium:neurotransmitter symporter family protein	0.0096	0.1094	0.1094
Loa Loa (eye worm)	hypothetical protein	0.0028	0.0138	0.0138
Brugia malayi	beta-lactamase	0.0035	0.0238	0.0535
Mycobacterium ulcerans	epoxide hydrolase EphA	0.0158	0.1988	1
Brugia malayi	GTP-binding nuclear protein RAN/TC4	0.0021	0.0032	0.0071
Brugia malayi	Ubiquitin carboxyl-terminal hydrolase family protein	0.0036	0.0252	0.0565
Plasmodium vivax	hypothetical protein, conserved	0.0035	0.0238	0.8479
Echinococcus multilocularis	puromycin sensitive aminopeptidase	0.0038	0.0281	0.0281
Echinococcus granulosus	Basic leucine zipper bZIP transcription	0.0035	0.0238	0.0238
Brugia malayi	TATA binding protein associated factor	0.0038	0.0281	0.0631
Echinococcus multilocularis	importin subunit beta 1	0.0028	0.0138	0.0138
Echinococcus multilocularis	puromycin sensitive aminopeptidase	0.0038	0.0281	0.0281
Trypanosoma brucei	metallo-peptidase, Clan MA(E) Family M1	0.0038	0.0281	1
Schistosoma mansoni	family S12 unassigned peptidase (S12 family)	0.0035	0.0238	0.0238
Echinococcus multilocularis	leukotriene A 4 hydrolase	0.0722	1	1
Loa Loa (eye worm)	TATA binding protein associated factor	0.0038	0.0281	0.0281
Loa Loa (eye worm)	hypothetical protein	0.0096	0.1094	0.1094
Echinococcus multilocularis	neuropeptide s receptor	0.0454	0.6191	0.6191
Trichomonas vaginalis	Clan MA, family M1, aminopeptidase N-like metallopeptidase	0.0038	0.0281	1
Trichomonas vaginalis	Clan MA, family M1, aminopeptidase N-like metallopeptidase	0.0038	0.0281	1
Plasmodium vivax	GTP-binding nuclear protein RAN/TC4, putative	0.0021	0.0032	0.1133
Loa Loa (eye worm)	hypothetical protein	0.0038	0.0281	0.0281
Trypanosoma brucei	aminopeptidase, putative	0.0038	0.0281	1
Loa Loa (eye worm)	hypothetical protein	0.0036	0.0252	0.0252
Trichomonas vaginalis	penicillin-binding protein, putative	0.0035	0.0238	0.8284
Echinococcus granulosus	puromycin sensitive aminopeptidase	0.0038	0.0281	0.0281
Trichomonas vaginalis	conserved hypothetical protein	0.0036	0.0252	0.8831
Trypanosoma cruzi	puromycin-sensitive aminopeptidase-like protein, putative	0.0038	0.0281	1
Schistosoma mansoni	aminopeptidase PILS (M01 family)	0.0038	0.0281	0.0281
Loa Loa (eye worm)	hypothetical protein	0.0035	0.0238	0.0238
Mycobacterium leprae	conserved hypothetical protein	0.0035	0.0238	0.5
Toxoplasma gondii	aminopeptidase N, putative	0.0038	0.0281	1
Leishmania major	importin beta-1 subunit, putative	0.0023	0.0062	0.121
Onchocerca volvulus		0.0038	0.0281	1
Loa Loa (eye worm)	hypothetical protein	0.0035	0.0238	0.0238
Echinococcus granulosus	importin subunit beta 1	0.0028	0.0138	0.0138
Trypanosoma cruzi	metallo-peptidase, clan MA(E), family M1, putative	0.0038	0.0281	1
Echinococcus granulosus	ubiquitin carboxyl terminal hydrolase 8	0.0036	0.0252	0.0252
Toxoplasma gondii	ABC1 family protein	0.0035	0.0238	0.8479
Echinococcus granulosus	beta LACTamase domain containing family member	0.0035	0.0238	0.0238
Echinococcus multilocularis	ubiquitin specific protease 41	0.0036	0.0252	0.0252
Toxoplasma gondii	GTP-binding nuclear protein ran/tc4	0.0021	0.0032	0.1133
Brugia malayi	Hypothetical 52.5 kDa protein ZK945.1 in chromosome II, putative	0.0035	0.0238	0.0535
Mycobacterium leprae	Probable lipase LipE	0.0035	0.0238	0.5
Treponema pallidum	sodium- and chloride- dependent transporter	0.0019	0	0.5
Onchocerca volvulus		0.0038	0.0281	1
Brugia malayi	latrophilin 2 splice variant baaae	0.0033	0.0211	0.0474
Trichomonas vaginalis	D-aminoacylase, putative	0.0035	0.0238	0.8284
Echinococcus multilocularis	beta LACTamase domain containing family member	0.0035	0.0238	0.0238
Loa Loa (eye worm)	pigment dispersing factor receptor c	0.0049	0.0431	0.0431
Schistosoma mansoni	ubiquitin-specific peptidase 8 (C19 family)	0.0036	0.0252	0.0252
Brugia malayi	hypothetical protein	0.0332	0.4455	1
Plasmodium falciparum	M1-family alanyl aminopeptidase, putative	0.0038	0.0281	1
Echinococcus multilocularis	snurportin 1	0.0302	0.4032	0.4032
Echinococcus multilocularis	Peptidase M1, membrane alanine aminopeptidase, N terminal	0.0038	0.0281	0.0281
Echinococcus granulosus	neuropeptide receptor A26	0.0454	0.6191	0.6191
Mycobacterium ulcerans	aminopeptidase N PepN	0.0038	0.0281	0.0244
Brugia malayi	Peptidase family M1 containing protein	0.0038	0.0281	0.0631
Giardia lamblia	Ubiquitin carboxyl-terminal hydrolase 4	0.0036	0.0252	1
Leishmania major	aminopeptidase, putative,metallo-peptidase, Clan MA(E), Family M1	0.0038	0.0281	1
Echinococcus multilocularis	puromycin sensitive aminopeptidase	0.0038	0.0281	0.0281
Trypanosoma cruzi	ubiquitin carboxyl-terminal hydrolase, putative	0.0036	0.0252	0.8831
Trypanosoma cruzi	aminopeptidase, putative	0.0038	0.0281	1
Trypanosoma brucei	Aminopeptidase M1, putative	0.0038	0.0281	1
Leishmania major	aminopeptidase, putative,metallo-peptidase, Clan MA(E), Family M1	0.0038	0.0281	1
Entamoeba histolytica	hypothetical protein	0.0035	0.0238	0.8269
Loa Loa (eye worm)	leukotriene A4 hydrolase	0.0722	1	1
Trichomonas vaginalis	importin beta-1, putative	0.0023	0.0062	0.121
Schistosoma mansoni	hypothetical protein	0.0033	0.0211	0.0211
Schistosoma mansoni	ran	0.0021	0.0032	0.0032
Leishmania major	aminopeptidase-like protein,metallo-peptidase, Clan MA(E), Family M1	0.0038	0.0281	1
Trypanosoma cruzi	importin beta-1 subunit, putative	0.0023	0.0062	0.121
Entamoeba histolytica	ubiquitin carboxyl-terminal hydrolase domain containing protein	0.0036	0.0252	0.8831
Echinococcus granulosus	ubiquitin specific protease 41	0.0036	0.0252	0.0252
Trichomonas vaginalis	Clan MA, family M1, aminopeptidase N-like metallopeptidase	0.0038	0.0281	1
Loa Loa (eye worm)	hypothetical protein	0.0096	0.1094	0.1094
Entamoeba histolytica	hypothetical protein	0.0023	0.0062	0.121
Schistosoma mansoni	ran	0.0021	0.0032	0.0032
Loa Loa (eye worm)	GTP-binding nuclear protein RAN/TC4	0.0021	0.0032	0.0032
Brugia malayi	Importin beta-1 subunit	0.0028	0.0138	0.031
Echinococcus granulosus	aminopeptidase N	0.0038	0.0281	0.0281
Trichomonas vaginalis	D-aminoacylase, putative	0.0035	0.0238	0.8284
Entamoeba histolytica	hypothetical protein	0.0035	0.0238	0.8269
Onchocerca volvulus		0.0035	0.0238	0.8479
Onchocerca volvulus		0.0035	0.0238	0.8479
Loa Loa (eye worm)	hypothetical protein	0.0049	0.0431	0.0431
Loa Loa (eye worm)	hypothetical protein	0.0038	0.0281	0.0281
Trypanosoma brucei	Aminopeptidase M1, putative	0.0038	0.0281	1
Toxoplasma gondii	aminopeptidase N protein	0.0038	0.0281	1
Loa Loa (eye worm)	aminopeptidase N	0.0038	0.0281	0.0281
Loa Loa (eye worm)	hypothetical protein	0.0035	0.0238	0.0238
Trypanosoma cruzi	Aminopeptidase M1, putative	0.0038	0.0281	1
Trypanosoma brucei	ubiquitin carboxyl-terminal hydrolase, putative	0.0036	0.0252	0.8831
Echinococcus multilocularis	puromycin sensitive aminopeptidase	0.0038	0.0281	0.0281
Echinococcus granulosus	sodium and chloride dependent glycine	0.0096	0.1094	0.1094
Echinococcus granulosus	neuropeptide s receptor	0.0454	0.6191	0.6191
Schistosoma mansoni	hypothetical protein	0.0302	0.4032	0.4032
Echinococcus granulosus	puromycin sensitive aminopeptidase	0.0038	0.0281	0.0281
Toxoplasma gondii	HEAT repeat-containing protein	0.0028	0.0138	0.4916
Echinococcus granulosus	puromycin sensitive aminopeptidase	0.0038	0.0281	0.0281
Loa Loa (eye worm)	beta-LACTamase domain containing family member	0.0035	0.0238	0.0238
Echinococcus granulosus	puromycin sensitive aminopeptidase	0.0038	0.0281	0.0281
Trypanosoma brucei	importin beta-1 subunit, putative	0.0028	0.0138	0.4266
Trichomonas vaginalis	D-aminoacylase, putative	0.0035	0.0238	0.8284
Trichomonas vaginalis	Importin beta-1 subunit, putative	0.0023	0.0062	0.121
Trichomonas vaginalis	Clan CA, family C19, ubiquitin hydrolase-like cysteine peptidase	0.0036	0.0252	0.8831
Trypanosoma cruzi	ubiquitin carboxyl-terminal hydrolase, putative	0.0036	0.0252	0.8831
Toxoplasma gondii	aminopeptidase n, putative	0.0038	0.0281	1
Onchocerca volvulus		0.0038	0.0281	1
Entamoeba histolytica	aminopeptidase, putative	0.0038	0.0281	1
Plasmodium vivax	M1-family alanyl aminopeptidase, putative	0.0038	0.0281	1
Echinococcus multilocularis	neuropeptide receptor A26	0.0454	0.6191	0.6191
Brugia malayi	Peptidase family M1 containing protein	0.0038	0.0281	0.0631
Brugia malayi	beta-lactamase family protein	0.0035	0.0238	0.0535
Trichomonas vaginalis	esterase, putative	0.0035	0.0238	0.8284
Mycobacterium tuberculosis	Probable epoxide hydrolase EphA (epoxide hydratase) (arene-oxide hydratase)	0.0158	0.1988	0.6461
Brugia malayi	Corticotropin releasing factor receptor 2 precursor, putative	0.0049	0.0431	0.0969
Echinococcus granulosus	snurportin 1	0.0302	0.4032	0.4032
Schistosoma mansoni	importin beta-1	0.0028	0.0138	0.0138
Echinococcus granulosus	Peptidase C19 ubiquitin carboxyl terminal hydrolase 2	0.0036	0.0252	0.0252
Trypanosoma cruzi	aminopeptidase, putative	0.0038	0.0281	1
Brugia malayi	Sodium:neurotransmitter symporter family protein	0.0096	0.1094	0.2456
Trypanosoma brucei	importin beta-1 subunit, putative	0.0028	0.0138	0.4266
Echinococcus multilocularis	sodium and chloride dependent glycine	0.0096	0.1094	0.1094
Schistosoma mansoni	aminopeptidase A (M01 family)	0.0038	0.0281	0.0281
Schistosoma mansoni	sodium/chloride dependent transporter	0.0096	0.1094	0.1094
Leishmania major	hypothetical protein, conserved	0.0035	0.0238	0.8284
Schistosoma mansoni	leukotriene A4 hydrolase (M01 family)	0.0722	1	1
Loa Loa (eye worm)	beta-lactamase	0.0035	0.0238	0.0238
Trypanosoma cruzi	hypothetical protein, conserved	0.0035	0.0238	0.8284
Schistosoma mansoni	hypothetical protein	0.0035	0.0238	0.0238
Onchocerca volvulus		0.0035	0.0238	0.8479
Brugia malayi	hypothetical protein	0.0035	0.0238	0.0534
Echinococcus multilocularis	puromycin sensitive aminopeptidase	0.0038	0.0281	0.0281
Leishmania major	ubiquitin hydrolase, putative,cysteine peptidase, Clan CA, family C19, putative	0.0036	0.0252	0.8831
Echinococcus multilocularis	sodium and chloride dependent glycine	0.0096	0.1094	0.1094
Plasmodium vivax	importin-beta 2, putative	0.0028	0.0138	0.4916
Entamoeba histolytica	hypothetical protein	0.0035	0.0238	0.8269
Echinococcus granulosus	puromycin sensitive aminopeptidase	0.0038	0.0281	0.0281
Echinococcus granulosus	GTP binding nuclear protein Ran	0.0021	0.0032	0.0032
Schistosoma mansoni	Tata binding protein associated factor (M01 family)	0.0038	0.0281	0.0281
Echinococcus multilocularis	Basic leucine zipper (bZIP) transcription	0.0035	0.0238	0.0238
Echinococcus multilocularis	Peptidase C19, ubiquitin carboxyl terminal hydrolase 2	0.0036	0.0252	0.0252
Loa Loa (eye worm)	peptidase family M1 containing protein	0.0038	0.0281	0.0281
Brugia malayi	hypothetical protein	0.0038	0.0281	0.0631
Plasmodium vivax	M1-family alanyl aminopeptidase, putative	0.0038	0.0281	1
Entamoeba histolytica	hypothetical protein	0.0035	0.0238	0.8269
Schistosoma mansoni	family S12 unassigned peptidase (S12 family)	0.0035	0.0238	0.0238
Brugia malayi	beta-lactamase family protein	0.0035	0.0238	0.0535
Trichomonas vaginalis	Importin beta-1 subunit, putative	0.0023	0.0062	0.121
Trypanosoma cruzi	hypothetical protein, conserved	0.0035	0.0238	0.8284
Loa Loa (eye worm)	hypothetical protein	0.0035	0.0238	0.0238
Echinococcus multilocularis	ubiquitin carboxyl terminal hydrolase 8	0.0036	0.0252	0.0252
Echinococcus granulosus	puromycin sensitive aminopeptidase	0.0038	0.0281	0.0281
Plasmodium falciparum	GTP-binding nuclear protein RAN/TC4	0.0021	0.0032	0.1133
Loa Loa (eye worm)	hypothetical protein	0.0035	0.0238	0.0238
Brugia malayi	Calcitonin receptor-like protein seb-1	0.0049	0.0431	0.0969
Trichomonas vaginalis	Clan CA, family C19, ubiquitin hydrolase-like cysteine peptidase	0.0036	0.0252	0.8831
Echinococcus multilocularis	GTP binding nuclear protein Ran	0.0021	0.0032	0.0032
Brugia malayi	hypothetical protein	0.0038	0.0281	0.0631
Trypanosoma cruzi	metallo-peptidase, clan MA(E), family M1, putative	0.0038	0.0281	1

Activities

Activity type	Activity value	Assay description	Source	Reference
IC50 (binding)	= 670 nM	Inhibitory activity against human glycine transporter type 2 (hGlyT2) expressed in Chinese hamster ovary (CHO) cell line	ChEMBL.	14698200
IC50 (binding)	= 670 nM	Inhibitory activity against human glycine transporter type 2 (hGlyT2) expressed in Chinese hamster ovary (CHO) cell line	ChEMBL.	14698200

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

PubChem: 23544168

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 261150