TDR Targets

Basic information

Technical information

TDR Targets ID: 313100
Name: 4-(1H-imidazol-5-ylmethyl)-1-(3-phenylpropyl) piperidine
MW: 283.411 | Formula: C18H25N3
H donors: 1 H acceptors: 1 LogP: 3.45 Rotable bonds: 6
Rule of 5 violations (Lipinski): 1
SMILES: c1ccc(cc1)CCCN1CCC(CC1)Cc1c[nH]cn1
InChi: 1S/C18H25N3/c1-2-5-16(6-3-1)7-4-10-21-11-8-17(9-12-21)13-18-14-19-15-20-18/h1-3,5-6,14-15,17H,4,7-13H2,(H,19,20)
InChiKey: NLMKSXFSXRIHJU-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	histamine receptor H3	Starlite/ChEMBL	References

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
Echinococcus granulosus	subfamily S1A unassigned peptidase S01 family	0.0096	0.0155	0.0306
Trichomonas vaginalis	Clan CA, family C1, papain-like cysteine peptidase	0.0129	0.0874	1
Echinococcus multilocularis	cathepsin L cysteine protease	0.0129	0.0874	0.1464
Loa Loa (eye worm)	hypothetical protein	0.01	0.0244	0.0244
Brugia malayi	Cathepsin L-like precursor	0.0129	0.0874	0.0874
Onchocerca volvulus		0.0129	0.0874	0.0874
Onchocerca volvulus		0.0098	0.0194	0.0194
Leishmania major	cathepsin L-like protease	0.0129	0.0874	0.1665
Loa Loa (eye worm)	hypothetical protein	0.0096	0.0155	0.0155
Trypanosoma brucei	cysteine peptidase, Clan CA, family C1, Cathepsin L-like	0.0129	0.0874	0.095
Schistosoma mansoni	cathepsin B-like peptidase (C01 family)	0.0319	0.5066	0.5066
Schistosoma mansoni	cathepsin B-like peptidase (C01 family)	0.0319	0.5066	0.5066
Trypanosoma brucei	cysteine peptidase, Clan CA, family C1, Cathepsin L-like	0.0129	0.0874	0.095
Echinococcus multilocularis	Lysosomal Pro X carboxypeptidase	0.01	0.0244	0.0181
Trichomonas vaginalis	Clan CA, family C1, cathepsin L-like cysteine peptidase	0.0129	0.0874	1
Schistosoma mansoni	cercarial elastase (S01 family)	0.0096	0.0155	0.0155
Trypanosoma brucei	cysteine peptidase, Clan CA, family C1, Cathepsin L-like	0.0129	0.0874	0.095
Echinococcus multilocularis	cathepsin L cysteine protease	0.0129	0.0874	0.1464
Trypanosoma cruzi	hypothetical protein, conserved	0.0098	0.0194	0.0383
Onchocerca volvulus	Cathepsin L homolog	0.0129	0.0874	0.0874
Trypanosoma cruzi	oligopeptidase b	0.0113	0.0517	0.102
Trichomonas vaginalis	Clan CA, family C1, cathepsin L or K-like cysteine peptidase	0.0129	0.0874	1
Schistosoma mansoni	cercarial elastase (S01 family)	0.0096	0.0155	0.0155
Trichomonas vaginalis	Clan CA, family C1, cathepsin L-like cysteine peptidase	0.0129	0.0874	1
Trichomonas vaginalis	Clan CA, family C1, cathepsin L-like cysteine peptidase	0.0129	0.0874	1
Echinococcus granulosus	Lysosomal Pro X carboxypeptidase	0.01	0.0244	0.0482
Trichomonas vaginalis	Clan CA, family C1, cathepsin L-like cysteine peptidase	0.0129	0.0874	1
Schistosoma mansoni	hypothetical protein	0.0096	0.0155	0.0155
Trichomonas vaginalis	Clan CA, family C1, cathepsin L-like cysteine peptidase	0.0129	0.0874	1
Leishmania major	oligopeptidase B-like protein,serine peptidase, clan SC, family S9A-like protein	0.0113	0.0517	0.0791
Trypanosoma cruzi	cysteine peptidase C (CPC), putative	0.0319	0.5066	1
Trichomonas vaginalis	Clan CA, family C1, papain-like cysteine peptidase	0.0129	0.0874	1
Onchocerca volvulus		0.0129	0.0874	0.0874
Plasmodium falciparum	cysteine proteinase falcipain 3	0.0129	0.0874	1
Echinococcus granulosus	transmembrane protease serine 3	0.0096	0.0155	0.0306
Mycobacterium tuberculosis	Probable protease II PtrBa [first part] (oligopeptidase B)	0.0253	0.3623	1
Schistosoma mansoni	cercarial elastase (S01 family)	0.0096	0.0155	0.0155
Trypanosoma cruzi	cruzipain precursor, putative	0.0129	0.0874	0.1725
Onchocerca volvulus		0.0096	0.0155	0.0155
Schistosoma mansoni	cercarial elastase (S01 family)	0.0096	0.0155	0.0155
Echinococcus multilocularis	cysteine protease	0.0129	0.0874	0.1464
Trichomonas vaginalis	Clan CA, family C1, cathepsin L-like cysteine peptidase	0.0129	0.0874	1
Schistosoma mansoni	cathepsin B-like peptidase (C01 family)	0.012	0.0681	0.0681
Trypanosoma cruzi	oligopeptidase b	0.0113	0.0517	0.102
Plasmodium falciparum	cysteine proteinase falcipain 2a	0.0129	0.0874	1
Mycobacterium leprae	PROBABLE PROTEASE II PTRBB (OLIGOPEPTIDASE B)	0.0113	0.0517	0.5
Loa Loa (eye worm)	hypothetical protein	0.0096	0.0155	0.0155
Loa Loa (eye worm)	Papain cysteine protease/cathepsin propeptide inhibitor-containing protein	0.0129	0.0874	0.0874
Loa Loa (eye worm)	hypothetical protein	0.01	0.0244	0.0244
Plasmodium falciparum	cysteine proteinase falcipain 2b	0.0129	0.0874	1
Echinococcus granulosus	Peptidase S1 S6 chymotrypsin Hap	0.0096	0.0155	0.0306
Schistosoma mansoni	subfamily S1A unassigned peptidase (S01 family)	0.0096	0.0155	0.0155
Trichomonas vaginalis	Clan CA, family C1, cathepsin L or K-like cysteine peptidase	0.0129	0.0874	1
Loa Loa (eye worm)	TK/ROR protein kinase	0.0098	0.0194	0.0194
Brugia malayi	Trypsin family protein	0.0096	0.0155	0.0155
Schistosoma mansoni	cercarial elastase (S01 family)	0.0096	0.0155	0.0155
Loa Loa (eye worm)	ctsf protein	0.0129	0.0874	0.0874
Toxoplasma gondii	cathepsin CPL	0.0129	0.0874	0.1665
Echinococcus multilocularis	cathepsin l cysteine peptidase	0.0129	0.0874	0.1464
Trypanosoma cruzi	prolyl endopeptidase	0.0283	0.4278	0.8444
Trypanosoma cruzi	cysteine peptidase, putative	0.0129	0.0874	0.1725
Schistosoma mansoni	cathepsin B-like peptidase (C01 family)	0.0319	0.5066	0.5066
Giardia lamblia	Cathepsin B precursor	0.012	0.0681	0.5
Leishmania major	cathepsin L-like protease	0.0129	0.0874	0.1665
Schistosoma mansoni	hypothetical protein	0.0096	0.0155	0.0155
Leishmania major	cathepsin L-like protease	0.0129	0.0874	0.1665
Brugia malayi	Trypsin-like protease protein 5	0.0096	0.0155	0.0155
Leishmania major	cathepsin L-like protease	0.0129	0.0874	0.1665
Echinococcus granulosus	cathepsin b	0.0319	0.5066	1
Brugia malayi	Cathepsin L-like precursor	0.0129	0.0874	0.0874
Trichomonas vaginalis	Clan CA, family C1, papain-like cysteine peptidase	0.0129	0.0874	1
Trypanosoma brucei	cysteine peptidase, Clan CA, family C1, Cathepsin L-like	0.0129	0.0874	0.095
Trypanosoma brucei	cysteine peptidase, Clan CA, family C1, Cathepsin L-like	0.0129	0.0874	0.095
Echinococcus granulosus	glycoprotein Antigen 5	0.0096	0.0155	0.0306
Brugia malayi	Trypsin family protein	0.0096	0.0155	0.0155
Giardia lamblia	Cathepsin B precursor	0.012	0.0681	0.5
Brugia malayi	cathepsin B-like cysteine proteinase	0.0319	0.5066	0.5066
Schistosoma mansoni	cercarial elastase (S01 family)	0.0096	0.0155	0.0155
Onchocerca volvulus		0.0129	0.0874	0.0874
Leishmania major	cathepsin L-like protease	0.0129	0.0874	0.1665
Brugia malayi	Cathepsin L-like precursor	0.0129	0.0874	0.0874
Schistosoma mansoni	subfamily S1A unassigned peptidase (S01 family)	0.0096	0.0155	0.0155
Loa Loa (eye worm)	hypothetical protein	0.0096	0.0155	0.0155
Trypanosoma brucei	cysteine peptidase, Clan CA, family C1, Cathepsin L-like	0.0129	0.0874	0.095
Echinococcus granulosus	cathepsin b	0.0319	0.5066	1
Toxoplasma gondii	cathepsin B	0.012	0.0681	0.1193
Brugia malayi	Papain family cysteine protease containing protein	0.0129	0.0874	0.0874
Echinococcus granulosus	tissue type plasminogen activator	0.0098	0.0194	0.0383
Brugia malayi	Protein kinase domain containing protein	0.0098	0.0194	0.0194
Loa Loa (eye worm)	hypothetical protein	0.0129	0.0874	0.0874
Schistosoma mansoni	lysosomal Pro-Xaa carboxypeptidase (S28 family)	0.01	0.0244	0.0244
Onchocerca volvulus		0.0129	0.0874	0.0874
Leishmania major	cysteine peptidase C (CPC),CPC cysteine peptidase, Clan CA, family C1, Cathepsin B-like	0.012	0.0681	0.1193
Trypanosoma brucei	cysteine peptidase, Clan CA, family C1, Cathepsin L-like	0.0129	0.0874	0.095
Trichomonas vaginalis	Clan CA, family C1, cathepsin L-like cysteine peptidase	0.0129	0.0874	1
Loa Loa (eye worm)	trypsin family protein	0.0096	0.0155	0.0155
Leishmania major	prolyl oligopeptidase, putative,serine peptidase clan SC, family S9A, putative	0.0283	0.4278	1
Brugia malayi	Serine carboxypeptidase S28 family protein	0.01	0.0244	0.0244
Leishmania major	cathepsin L-like protease	0.0129	0.0874	0.1665
Brugia malayi	prolyl oligopeptidase family protein	0.0283	0.4278	0.4278
Loa Loa (eye worm)	hypothetical protein	0.0096	0.0155	0.0155
Trypanosoma cruzi	cysteine peptidase, putative	0.0129	0.0874	0.1725
Trichomonas vaginalis	Clan CA, family C1, cathepsin B-like cysteine peptidase	0.012	0.0681	0.7795
Trichomonas vaginalis	Clan CA, family C1, papain-like cysteine peptidase	0.0129	0.0874	1
Brugia malayi	Cathepsin L-like precursor	0.0129	0.0874	0.0874
Trypanosoma cruzi	oligopeptidase B-like protein, putative	0.0113	0.0517	0.102
Onchocerca volvulus	Prolyl endopeptidase homolog	0.0283	0.4278	0.4278
Echinococcus multilocularis	cathepsin b	0.0319	0.5066	1
Loa Loa (eye worm)	hypothetical protein	0.0283	0.4278	0.4278
Schistosoma mansoni	cercarial elastase (S01 family)	0.0096	0.0155	0.0155
Onchocerca volvulus		0.0096	0.0155	0.0155
Onchocerca volvulus		0.0096	0.0155	0.0155
Trichomonas vaginalis	Clan CA, family C1, papain-like cysteine peptidase	0.0129	0.0874	1
Echinococcus multilocularis	prolyl endopeptidase	0.0283	0.4278	0.8395
Echinococcus granulosus	Mastin	0.0096	0.0155	0.0306
Leishmania major	cathepsin L-like protease	0.0129	0.0874	0.1665
Schistosoma mansoni	aminopeptidase PILS (M01 family)	0.0096	0.0155	0.0155
Brugia malayi	Trypsin family protein	0.0096	0.0155	0.0155
Giardia lamblia	Cathepsin B precursor	0.012	0.0681	0.5
Onchocerca volvulus		0.0129	0.0874	0.0874
Schistosoma mansoni	cercarial elastase (S01 family)	0.0096	0.0155	0.0155
Loa Loa (eye worm)	hypothetical protein	0.0096	0.0155	0.0155
Schistosoma mansoni	subfamily S1A unassigned peptidase (S01 family)	0.0542	1	1
Echinococcus multilocularis	cathepsin b	0.0319	0.5066	1
Onchocerca volvulus		0.0542	1	1
Schistosoma mansoni	subfamily S1A unassigned peptidase (S01 family)	0.0096	0.0155	0.0155
Entamoeba histolytica	cysteine protease, putative	0.0129	0.0874	1
Echinococcus multilocularis	tissue type plasminogen activator	0.0098	0.0194	0.0079
Trypanosoma brucei	cysteine peptidase, Clan CA, family C1, Cathepsin L-like	0.0129	0.0874	0.095
Trypanosoma brucei	cysteine peptidase, Clan CA, family C1, Cathepsin L-like	0.0129	0.0874	0.095
Leishmania major	oligopeptidase b	0.0113	0.0517	0.0791
Plasmodium vivax	vivapain-2	0.0129	0.0874	1
Schistosoma mansoni	SmCB2 peptidase (C01 family)	0.0319	0.5066	0.5066
Schistosoma mansoni	cercarial elastase (S01 family)	0.0096	0.0155	0.0155
Loa Loa (eye worm)	hypothetical protein	0.0319	0.5066	0.5066
Schistosoma mansoni	cathepsin F (C01 family)	0.0129	0.0874	0.0874
Schistosoma mansoni	subfamily S1A unassigned peptidase (S01 family)	0.0542	1	1
Entamoeba histolytica	cysteine proteinase, putative	0.0129	0.0874	1
Leishmania major	cathepsin L-like protease	0.0129	0.0874	0.1665
Echinococcus granulosus	enteropeptidase	0.0096	0.0155	0.0306
Entamoeba histolytica	cysteine proteinase, putative	0.0129	0.0874	1
Plasmodium vivax	vivapain-2	0.0129	0.0874	1
Onchocerca volvulus		0.0096	0.0155	0.0155
Loa Loa (eye worm)	cysteine protease	0.0129	0.0874	0.0874
Trypanosoma brucei	cysteine peptidase, Clan CA, family C1, Cathepsin L-like	0.0129	0.0874	0.095
Schistosoma mansoni	cercarial elastase (S01 family)	0.0096	0.0155	0.0155
Echinococcus granulosus	cathepsin l cysteine peptidase	0.0129	0.0874	0.1725
Leishmania major	cysteine peptidase A (CPA)	0.0129	0.0874	0.1665
Echinococcus granulosus	cathepsin l1	0.0129	0.0874	0.1725
Trypanosoma brucei	prolyl endopeptidase	0.0283	0.4278	1
Loa Loa (eye worm)	hypothetical protein	0.0542	1	1
Echinococcus multilocularis	cysteine protease	0.0129	0.0874	0.1464
Brugia malayi	Cathepsin L-like precursor	0.0129	0.0874	0.0874
Brugia malayi	hypothetical protein	0.0096	0.0155	0.0155
Echinococcus multilocularis	cathepsin l cysteine peptidase	0.0129	0.0874	0.1464
Onchocerca volvulus	Cathepsin F homolog	0.0129	0.0874	0.0874
Trypanosoma brucei	cysteine peptidase, Clan CA, family C1, Cathepsin L-like	0.0129	0.0874	0.095
Onchocerca volvulus		0.0129	0.0874	0.0874
Trypanosoma cruzi	cysteine peptidase, putative	0.0129	0.0874	0.1725
Schistosoma mansoni	subfamily S1A unassigned peptidase (S01 family)	0.0096	0.0155	0.0155
Schistosoma mansoni	cercarial elastase (S01 family)	0.0096	0.0155	0.0155
Trichomonas vaginalis	Clan CA, family C1, cathepsin L-like cysteine peptidase	0.0129	0.0874	1
Trichomonas vaginalis	Clan CA, family C1, papain-like cysteine peptidase	0.0129	0.0874	1
Trypanosoma cruzi	cysteine peptidase, putative	0.0129	0.0874	0.1725
Onchocerca volvulus		0.0096	0.0155	0.0155
Trichomonas vaginalis	Clan CA, family C1, papain-like cysteine peptidase	0.0129	0.0874	1
Trypanosoma cruzi	cysteine peptidase C (CPC), putative	0.012	0.0681	0.1345
Onchocerca volvulus	Cathepsin L homolog	0.0129	0.0874	0.0874
Brugia malayi	Cathepsin L-like precursor	0.0129	0.0874	0.0874
Echinococcus granulosus	cathepsin L cysteine proteinase	0.0129	0.0874	0.1725
Loa Loa (eye worm)	cathepsin B	0.012	0.0681	0.0681
Mycobacterium ulcerans	protease II (oligopeptidase B), PtrB	0.0113	0.0517	1
Onchocerca volvulus		0.0446	0.7878	0.7878
Loa Loa (eye worm)	hypothetical protein	0.0098	0.0194	0.0194
Brugia malayi	Chymotrypsin-like protease CTRL-1 precursor	0.0096	0.0155	0.0155
Trypanosoma cruzi	serine peptidase, clan SC, family S9A-like protein, putative	0.0113	0.0517	0.102
Trypanosoma brucei	cysteine peptidase C (CPC)	0.012	0.0681	0.0437
Trichomonas vaginalis	Clan CA, family C1, cathepsin L-like cysteine peptidase	0.0129	0.0874	1
Trichomonas vaginalis	Clan CA, family C1, cathepsin L-like cysteine peptidase	0.0129	0.0874	1
Trichomonas vaginalis	Clan CA, family C1, cathepsin L-like cysteine peptidase	0.0129	0.0874	1
Loa Loa (eye worm)	fibroinase	0.0129	0.0874	0.0874
Trichomonas vaginalis	Clan CA, family C1, cathepsin L-like cysteine peptidase	0.0129	0.0874	1
Schistosoma mansoni	prolyl oligopeptidase (S09 family)	0.0283	0.4278	0.4278
Trichomonas vaginalis	Clan CA, family C1, cathepsin L-like cysteine peptidase	0.0129	0.0874	1
Trichomonas vaginalis	Clan CA, family C1, papain-like cysteine peptidase	0.0129	0.0874	1
Brugia malayi	Kringle domain containing protein	0.0098	0.0194	0.0194
Schistosoma mansoni	prolyl oligopeptidase (S09 family)	0.0283	0.4278	0.4278
Trichomonas vaginalis	Clan CA, family C1, cathepsin L-like cysteine peptidase	0.0129	0.0874	1
Schistosoma mansoni	subfamily S1A unassigned peptidase (S01 family)	0.0096	0.0155	0.0155
Loa Loa (eye worm)	papain family cysteine protease containing protein	0.0129	0.0874	0.0874
Loa Loa (eye worm)	hypothetical protein	0.0542	1	1
Schistosoma mansoni	hypothetical protein	0.0098	0.0194	0.0194
Trichomonas vaginalis	Clan CA, family C1, papain-like cysteine peptidase	0.0129	0.0874	1
Schistosoma mansoni	cathepsin F (C01 family)	0.0129	0.0874	0.0874
Loa Loa (eye worm)	hypothetical protein	0.01	0.0244	0.0244
Toxoplasma gondii	prolyl endopeptidase	0.0283	0.4278	1
Echinococcus granulosus	prolyl endopeptidase	0.0283	0.4278	0.8444
Onchocerca volvulus		0.0129	0.0874	0.0874

Activities

Activity type	Activity value	Assay description	Source	Reference
EC50 (functional)	= -7.5	Inhibition of cAMP-stimulated beta-galactosidase transcription in SK-N-MC cells expressing human H3 receptor	ChEMBL.	15771452
Intrinsic activity (functional)	= 0.8	Intrinsic activity as relative maximum response at histamine H3 receptor expressed in SK-N-MC cells	ChEMBL.	15771452
Intrinsic activity (functional)	= 0.8	Intrinsic activity as relative maximum response at histamine H3 receptor expressed in SK-N-MC cells	ChEMBL.	15771452
Ki (binding)	= -7.4	Displacement of [3H]-N-R-methylhistamine binding to SK-N-MC cell membranes expressing human H3 receptor	ChEMBL.	15771452
Log EC50 (functional)	= 7.5	Inhibition of cAMP-stimulated beta-galactosidase transcription in SK-N-MC cells expressing human H3 receptor	ChEMBL.	15771452
Log Ki (binding)	= 7.4	Displacement of [3H]-N-R-methylhistamine binding to SK-N-MC cell membranes expressing human H3 receptor	ChEMBL.	15771452

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: CHEMBL369096
PubChem: 11178286

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 313100