TDR Targets

Basic information

Technical information

TDR Targets ID: 250877
Name: 3-(3,5-dimethylphenyl)piperidine
MW: 189.297 | Formula: C13H19N
H donors: 1 H acceptors: 0 LogP: 2.76 Rotable bonds: 1
Rule of 5 violations (Lipinski): 1
SMILES: Cc1cc(cc(c1)C)C1CCCNC1
InChi: 1S/C13H19N/c1-10-6-11(2)8-13(7-10)12-4-3-5-14-9-12/h6-8,12,14H,3-5,9H2,1-2H3
InChiKey: KCTMOZHTZAFYSJ-UHFFFAOYSA-N

Network

Hover on a compound node to display the structore

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

This is a work in progress. Come back soon to try this features!

Clustering layers

This is a work in progress. Come back soon to try this features!

Synonyms

No synonyms found for this compound

Targets

Known targets for this compound

Species	Target name	Source	Bibliographic reference
Bos taurus	Dopamine D2 receptor	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

Species	Potential target	Known druggable target	Length	Alignment span	Identity
Schistosoma mansoni	biogenic amine (dopamine) receptor	Dopamine D2 receptor	444 aa	493 aa	26.8 %
Schistosoma japonicum	ko:K04136 adrenergic receptor, alpha 1b, putative	Dopamine D2 receptor	444 aa	438 aa	29.9 %
Echinococcus multilocularis	serotonin receptor	Dopamine D2 receptor	444 aa	446 aa	31.8 %
Echinococcus granulosus	g protein coupled receptor	Dopamine D2 receptor	444 aa	457 aa	21.7 %
Schistosoma japonicum	ko:K04145 dopamine receptor D2, putative	Dopamine D2 receptor	444 aa	432 aa	30.6 %
Schistosoma japonicum	Octopamine receptor, putative	Dopamine D2 receptor	444 aa	456 aa	28.7 %
Schistosoma mansoni	muscarinic acetylcholine (GAR) receptor	Dopamine D2 receptor	444 aa	489 aa	24.5 %
Schistosoma japonicum	ko:K04207 neuropeptide Y receptor Y5, putative	Dopamine D2 receptor	444 aa	386 aa	19.9 %
Onchocerca volvulus		Dopamine D2 receptor	444 aa	417 aa	23.3 %
Schistosoma japonicum	ko:K04145 dopamine receptor D2, putative	Dopamine D2 receptor	444 aa	464 aa	29.3 %
Onchocerca volvulus		Dopamine D2 receptor	444 aa	464 aa	27.4 %
Echinococcus granulosus	alpha 1A adrenergic receptor	Dopamine D2 receptor	444 aa	466 aa	20.2 %
Echinococcus granulosus	biogenic amine 5HT receptor	Dopamine D2 receptor	444 aa	430 aa	30.5 %
Onchocerca volvulus	RB1-inducible coiled-coil protein 1 homolog	Dopamine D2 receptor	444 aa	479 aa	22.8 %
Schistosoma mansoni	amine GPCR	Dopamine D2 receptor	444 aa	424 aa	32.3 %
Echinococcus multilocularis	g protein coupled receptor	Dopamine D2 receptor	444 aa	465 aa	21.7 %
Schistosoma mansoni	biogenic amine receptor	Dopamine D2 receptor	444 aa	455 aa	29.5 %

Ranking Plot

Putative Targets List

Species	Potential target	Raw	Global	Species
Trichomonas vaginalis	Clan CA, family C1, papain-like cysteine peptidase	0.0114	0.5682	1
Brugia malayi	Cathepsin L-like precursor	0.0114	0.5682	0.5682
Echinococcus multilocularis	cathepsin l cysteine peptidase	0.0114	0.5682	0.5682
Leishmania major	cathepsin L-like protease	0.0114	0.5682	1
Trichomonas vaginalis	Clan CA, family C1, cathepsin L or K-like cysteine peptidase	0.0114	0.5682	1
Onchocerca volvulus	Cathepsin L homolog	0.0114	0.5682	1
Loa Loa (eye worm)	hypothetical protein	0.0078	0.1808	0.1451
Echinococcus multilocularis	cathepsin b	0.0154	1	1
Onchocerca volvulus	Cathepsin F homolog	0.0114	0.5682	1
Trypanosoma brucei	cysteine peptidase, Clan CA, family C1, Cathepsin L-like	0.0114	0.5682	1
Brugia malayi	Cathepsin L-like precursor	0.0114	0.5682	0.5682
Trichomonas vaginalis	Clan CA, family C1, cathepsin L-like cysteine peptidase	0.0114	0.5682	1
Leishmania major	cathepsin L-like protease	0.0114	0.5682	1
Trypanosoma cruzi	cysteine peptidase, putative	0.0114	0.5682	0.5682
Schistosoma mansoni	cathepsin B-like peptidase (C01 family)	0.0065	0.0417	0.0417
Plasmodium falciparum	cysteine proteinase falcipain 2a	0.0114	0.5682	1
Onchocerca volvulus		0.0114	0.5682	1
Leishmania major	cysteine peptidase A (CPA)	0.0114	0.5682	1
Echinococcus multilocularis	cathepsin L cysteine protease	0.0114	0.5682	0.5682
Brugia malayi	Papain family cysteine protease containing protein	0.0114	0.5682	0.5682
Schistosoma mansoni	cathepsin F (C01 family)	0.0114	0.5682	0.5682
Schistosoma mansoni	cathepsin F (C01 family)	0.0078	0.1808	0.1808
Trypanosoma brucei	cysteine peptidase, Clan CA, family C1, Cathepsin L-like	0.0114	0.5682	1
Plasmodium vivax	vivapain-2	0.0114	0.5682	1
Schistosoma mansoni	SmCB2 peptidase (C01 family)	0.0154	1	1
Loa Loa (eye worm)	hypothetical protein	0.0154	1	1
Onchocerca volvulus		0.0114	0.5682	1
Echinococcus granulosus	cathepsin l cysteine peptidase	0.0114	0.5682	0.5682
Trichomonas vaginalis	Clan CA, family C1, papain-like cysteine peptidase	0.0114	0.5682	1
Trichomonas vaginalis	Clan CA, family C1, cathepsin L-like cysteine peptidase	0.0114	0.5682	1
Trypanosoma brucei	cysteine peptidase C (CPC)	0.0065	0.0417	0.0734
Echinococcus multilocularis	cathepsin L cysteine protease	0.0114	0.5682	0.5682
Echinococcus granulosus	cathepsin l1	0.0078	0.1808	0.1808
Leishmania major	cathepsin L-like protease	0.0114	0.5682	1
Trichomonas vaginalis	Clan CA, family C1, cathepsin L-like cysteine peptidase	0.0114	0.5682	1
Brugia malayi	Cathepsin L-like cysteine proteinase	0.0078	0.1808	0.1808
Trypanosoma brucei	cysteine peptidase, Clan CA, family C1, Cathepsin L-like	0.0114	0.5682	1
Trypanosoma brucei	cysteine peptidase, Clan CA, family C1, Cathepsin L-like	0.0114	0.5682	1
Trichomonas vaginalis	Clan CA, family C1, cathepsin L-like cysteine peptidase	0.0114	0.5682	1
Trichomonas vaginalis	Clan CA, family C1, cathepsin L-like cysteine peptidase	0.0114	0.5682	1
Giardia lamblia	Cathepsin B precursor	0.0065	0.0417	0.5
Onchocerca volvulus		0.0114	0.5682	1
Leishmania major	cathepsin L-like protease	0.0114	0.5682	1
Brugia malayi	Cathepsin L-like precursor	0.0114	0.5682	0.5682
Loa Loa (eye worm)	cysteine protease	0.0114	0.5682	0.5494
Toxoplasma gondii	cathepsin CPL	0.0114	0.5682	1
Trypanosoma cruzi	cysteine peptidase, putative	0.0114	0.5682	0.5682
Entamoeba histolytica	cysteine proteinase, putative	0.0114	0.5682	1
Onchocerca volvulus		0.0114	0.5682	1
Trypanosoma brucei	cysteine peptidase, Clan CA, family C1, Cathepsin L-like	0.0114	0.5682	1
Trichomonas vaginalis	Clan CA, family C1, papain-like cysteine peptidase	0.0114	0.5682	1
Echinococcus granulosus	cathepsin L cysteine proteinase	0.0114	0.5682	0.5682
Trypanosoma cruzi	cysteine peptidase C (CPC), putative	0.0154	1	1
Trichomonas vaginalis	Clan CA, family C1, cathepsin L-like cysteine peptidase	0.0114	0.5682	1
Trichomonas vaginalis	Clan CA, family C1, papain-like cysteine peptidase	0.0114	0.5682	1
Entamoeba histolytica	cysteine protease, putative	0.0114	0.5682	1
Brugia malayi	Cathepsin L-like precursor	0.0114	0.5682	0.5682
Plasmodium falciparum	cysteine proteinase falcipain 3	0.0114	0.5682	1
Trichomonas vaginalis	Clan CA, family C1, cathepsin L-like cysteine peptidase	0.0114	0.5682	1
Schistosoma mansoni	cathepsin B-like peptidase (C01 family)	0.0154	1	1
Echinococcus multilocularis	cathepsin b	0.0154	1	1
Giardia lamblia	Cathepsin B precursor	0.0065	0.0417	0.5
Trypanosoma brucei	cysteine peptidase, Clan CA, family C1, Cathepsin L-like	0.0114	0.5682	1
Loa Loa (eye worm)	papain family cysteine protease containing protein	0.0114	0.5682	0.5494
Echinococcus granulosus	cathepsin l1	0.0114	0.5682	0.5682
Brugia malayi	Cathepsin L-like precursor	0.0078	0.1808	0.1808
Trichomonas vaginalis	Clan CA, family C1, cathepsin L-like cysteine peptidase	0.0114	0.5682	1
Schistosoma mansoni	cathepsin B-like peptidase (C01 family)	0.0154	1	1
Trichomonas vaginalis	Clan CA, family C1, cathepsin L-like cysteine peptidase	0.0114	0.5682	1
Trypanosoma brucei	cysteine peptidase, Clan CA, family C1, Cathepsin L-like	0.0114	0.5682	1
Plasmodium vivax	vivapain-2	0.0114	0.5682	1
Trypanosoma brucei	cysteine peptidase, Clan CA, family C1, Cathepsin L-like	0.0114	0.5682	1
Trichomonas vaginalis	Clan CA, family C1, cathepsin B-like cysteine peptidase	0.0065	0.0417	0.0734
Trichomonas vaginalis	Clan CA, family C1, cathepsin L-like cysteine peptidase	0.0078	0.1808	0.3182
Trichomonas vaginalis	Clan CA, family C1, papain-like cysteine peptidase	0.0114	0.5682	1
Onchocerca volvulus		0.0114	0.5682	1
Echinococcus multilocularis	cathepsin l cysteine peptidase	0.0114	0.5682	0.5682
Leishmania major	cathepsin L-like protease	0.0114	0.5682	1
Echinococcus multilocularis	cysteine protease	0.0114	0.5682	0.5682
Trichomonas vaginalis	Clan CA, family C1, cathepsin L-like cysteine peptidase	0.0114	0.5682	1
Trypanosoma cruzi	cysteine peptidase C (CPC), putative	0.0065	0.0417	0.0417
Schistosoma mansoni	cathepsin F (C01 family)	0.0114	0.5682	0.5682
Onchocerca volvulus		0.0114	0.5682	1
Loa Loa (eye worm)	hypothetical protein	0.0114	0.5682	0.5494
Trichomonas vaginalis	Clan CA, family C1, papain-like cysteine peptidase	0.0114	0.5682	1
Brugia malayi	Cathepsin L-like precursor	0.0114	0.5682	0.5682
Brugia malayi	Cathepsin L-like precursor	0.0114	0.5682	0.5682
Trypanosoma brucei	cysteine peptidase, Clan CA, family C1, Cathepsin L-like	0.0114	0.5682	1
Trypanosoma brucei	cysteine peptidase, Clan CA, family C1, Cathepsin L-like	0.0114	0.5682	1
Loa Loa (eye worm)	fibroinase	0.0114	0.5682	0.5494
Loa Loa (eye worm)	hypothetical protein	0.0078	0.1808	0.1451
Entamoeba histolytica	cysteine proteinase, putative	0.0114	0.5682	1
Brugia malayi	Cathepsin L-like precursor	0.0078	0.1808	0.1808
Loa Loa (eye worm)	Papain cysteine protease/cathepsin propeptide inhibitor-containing protein	0.0114	0.5682	0.5494
Entamoeba histolytica	cysteine proteinase, putative	0.0078	0.1808	0.3182
Trichomonas vaginalis	Clan CA, family C1, cathepsin L-like cysteine peptidase	0.0114	0.5682	1
Leishmania major	cathepsin L-like protease	0.0114	0.5682	1
Loa Loa (eye worm)	ctsf protein	0.0114	0.5682	0.5494
Giardia lamblia	Cathepsin B precursor	0.0065	0.0417	0.5
Leishmania major	cathepsin L-like protease	0.0114	0.5682	1
Echinococcus multilocularis	cysteine protease	0.0114	0.5682	0.5682
Echinococcus granulosus	cathepsin b	0.0154	1	1
Trichomonas vaginalis	Clan CA, family C1, cathepsin L-like cysteine peptidase	0.0114	0.5682	1
Trypanosoma cruzi	cruzipain precursor, putative	0.0114	0.5682	0.5682
Plasmodium falciparum	cysteine proteinase falcipain 2b	0.0114	0.5682	1
Onchocerca volvulus		0.0114	0.5682	1
Loa Loa (eye worm)	hypothetical protein	0.0078	0.1808	0.1451
Trypanosoma brucei	cysteine peptidase, Clan CA, family C1, Cathepsin L-like	0.0114	0.5682	1
Brugia malayi	cathepsin L-like precursor	0.0078	0.1808	0.1808
Trichomonas vaginalis	Clan CA, family C1, cathepsin L or K-like cysteine peptidase	0.0114	0.5682	1
Trichomonas vaginalis	Clan CA, family C1, cathepsin L-like cysteine peptidase	0.0078	0.1808	0.3182
Trichomonas vaginalis	Clan CA, family C1, cathepsin L-like cysteine peptidase	0.0114	0.5682	1
Trichomonas vaginalis	Clan CA, family C1, papain-like cysteine peptidase	0.0114	0.5682	1
Leishmania major	cathepsin L-like protease	0.0114	0.5682	1
Trypanosoma cruzi	cysteine peptidase, putative	0.0114	0.5682	0.5682
Onchocerca volvulus	Cathepsin L homolog	0.0114	0.5682	1
Trypanosoma cruzi	cysteine peptidase, clan CA, family C1, cathepsin L-like, putative	0.0078	0.1808	0.1808
Trichomonas vaginalis	Clan CA, family C1, papain-like cysteine peptidase	0.0114	0.5682	1
Trypanosoma cruzi	cysteine peptidase, putative	0.0114	0.5682	0.5682
Trichomonas vaginalis	Clan CA, family C1, papain-like cysteine peptidase	0.0114	0.5682	1
Trichomonas vaginalis	Clan CA, family C1, cathepsin L-like cysteine peptidase	0.0114	0.5682	1
Schistosoma mansoni	cathepsin B-like peptidase (C01 family)	0.0154	1	1
Echinococcus granulosus	cathepsin b	0.0154	1	1

Activities

Activity type	Activity value	Assay description	Source	Reference
Ki (binding)	nM	Binding affinity against Dopamine receptor D1 like from bovine retina membranes measured using [3H]-SCH-23,390 radioligand; ND = Not determined	ChEMBL.	9836610
Ki (binding)	0 nM	Binding affinity against Dopamine receptor D1 like from bovine retina membranes measured using [3H]-SCH-23,390 radioligand; ND = Not determined	ChEMBL.	9836610
Ki (binding)	0 nM	Tested for binding affinity against Dopamine receptor D2 like from bovine striatum membranes by using [3H]-YM-09151-2 radioligand; ND = Not determined	ChEMBL.	9836610
Ki (binding)	= 240 nM	Inhibition of [3H]-YM-09151-2 binding to bovine retina membrane Dopamine receptor D2, high affinity site	ChEMBL.	9836610
Ki (binding)	= 240 nM	Inhibition of [3H]-YM-09151-2 binding to bovine retina membrane Dopamine receptor D2, high affinity site	ChEMBL.	9836610
Ki (binding)	= 24000 nM	Inhibition of [3H]-YM-09151-2 binding to bovine retina membrane Dopamine receptor D2, low affinity site	ChEMBL.	9836610
Ki (binding)	= 24000 nM	Inhibition of [3H]-YM-09151-2 binding to bovine retina membrane Dopamine receptor D2, low affinity site	ChEMBL.	9836610

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: CHEMBL342345
PubChem: 10035413

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 250877