TDR Targets

Basic information

Technical information

Name: Unnamed compound
MW: 213.318 | Formula: C15H19N
H donors: 0 H acceptors: 0 LogP: 2.16 Rotable bonds: 2
Rule of 5 violations (Lipinski): 1
SMILES: C1CC2N(C1CC2)CC12C3C4C2C2C1C3C42
InChi: 1S/C15H19N/c1-2-7-4-3-6(1)16(7)5-15-12-9-8-10(12)14(15)11(8)13(9)15/h6-14H,1-5H2
InChiKey: TWUZJTIHFYRNSV-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	cholinergic receptor, muscarinic 1	Starlite/ChEMBL	References
Homo sapiens	adrenoceptor alpha 2B	Starlite/ChEMBL	References
Homo sapiens	adrenoceptor alpha 2C	Starlite/ChEMBL	References
Homo sapiens	cholinergic receptor, muscarinic 4	Starlite/ChEMBL	References
Rattus norvegicus	Sigma opioid receptor	Starlite/ChEMBL	References
Homo sapiens	cholinergic receptor, muscarinic 5	Starlite/ChEMBL	References
Homo sapiens	cholinergic receptor, muscarinic 3	Starlite/ChEMBL	References
Homo sapiens	adrenoceptor alpha 1B	Starlite/ChEMBL	References
Homo sapiens	cholinergic receptor, muscarinic 2	Starlite/ChEMBL	References
Homo sapiens	solute carrier family 6 (neurotransmitter transporter), member 3	Starlite/ChEMBL	References
Homo sapiens	dopamine receptor D3	Starlite/ChEMBL	References

Predicted pathogen targets for this compound

By orthology

Species	Potential target	Known druggable target/s	Ortholog Group
Leishmania donovani	C-8 sterol isomerase-like protein	Get druggable targets OG5_131051	All targets in OG5_131051
Brugia malayi	Sodium:neurotransmitter symporter family protein	Get druggable targets OG5_128364	All targets in OG5_128364
Echinococcus multilocularis	serotonin transporter	Get druggable targets OG5_128364	All targets in OG5_128364
Candida albicans	sterol C8-C7 isomerase	Get druggable targets OG5_131051	All targets in OG5_131051
Loa Loa (eye worm)	norepinephrine transporter	Get druggable targets OG5_128364	All targets in OG5_128364
Leishmania infantum	C-8 sterol isomerase-like protein	Get druggable targets OG5_131051	All targets in OG5_131051
Loa Loa (eye worm)	hypothetical protein	Get druggable targets OG5_131051	All targets in OG5_131051
Loa Loa (eye worm)	hypothetical protein	Get druggable targets OG5_128364	All targets in OG5_128364
Trypanosoma congolense	C-8 sterol isomerase, putative	Get druggable targets OG5_131051	All targets in OG5_131051
Schistosoma japonicum	IPR000175,Sodium:neurotransmitter symporter,domain-containing	Get druggable targets OG5_128364	All targets in OG5_128364
Schistosoma mansoni	norepinephrine/norepinephrine transporter	Get druggable targets OG5_128364	All targets in OG5_128364
Echinococcus granulosus	serotonin transporter	Get druggable targets OG5_128364	All targets in OG5_128364
Leishmania mexicana	C-8 sterol isomerase-like protein	Get druggable targets OG5_131051	All targets in OG5_131051
Schistosoma japonicum	ko:K05336 solute carrier family 6 (neurotransmitter transporter), invertebrate, putative	Get druggable targets OG5_128364	All targets in OG5_128364
Loa Loa (eye worm)	hypothetical protein	Get druggable targets OG5_128364	All targets in OG5_128364
Treponema pallidum	sodium- and chloride- dependent transporter	Get druggable targets OG5_128364	All targets in OG5_128364
Schistosoma japonicum	Sodium-dependent dopamine transporter, putative	Get druggable targets OG5_128364	All targets in OG5_128364
Brugia malayi	ERG2 and Sigma1 receptor like protein	Get druggable targets OG5_131051	All targets in OG5_131051
Trypanosoma brucei	C-8 sterol isomerase, putative	Get druggable targets OG5_131051	All targets in OG5_131051
Candida albicans	sterol C8-C7 isomerase	Get druggable targets OG5_131051	All targets in OG5_131051
Trypanosoma brucei gambiense	C-8 sterol isomerase, putative	Get druggable targets OG5_131051	All targets in OG5_131051
Schistosoma japonicum	Sodium-dependent dopamine transporter, putative	Get druggable targets OG5_128364	All targets in OG5_128364
Schistosoma mansoni	sodium/chloride dependent transporter	Get druggable targets OG5_128364	All targets in OG5_128364
Loa Loa (eye worm)	serotonin transporter b	Get druggable targets OG5_128364	All targets in OG5_128364
Trypanosoma cruzi	C-8 sterol isomerase, putative	Get druggable targets OG5_131051	All targets in OG5_131051
Schistosoma japonicum	Sodium-dependent dopamine transporter, putative	Get druggable targets OG5_128364	All targets in OG5_128364
Onchocerca volvulus		Get druggable targets OG5_128364	All targets in OG5_128364
Loa Loa (eye worm)	hypothetical protein	Get druggable targets OG5_133264	All targets in OG5_133264
Trypanosoma congolense	C-8 sterol isomerase, putative	Get druggable targets OG5_131051	All targets in OG5_131051
Schistosoma japonicum	Sodium-dependent dopamine transporter, putative	Get druggable targets OG5_128364	All targets in OG5_128364
Leishmania major	C-8 sterol isomerase-like protein	Get druggable targets OG5_131051	All targets in OG5_131051
Schistosoma japonicum	Sodium-dependent dopamine transporter, putative	Get druggable targets OG5_128364	All targets in OG5_128364
Loa Loa (eye worm)	hypothetical protein	Get druggable targets OG5_128364	All targets in OG5_128364
Schistosoma japonicum	Alpha-1D adrenergic receptor, putative	Get druggable targets OG5_128924	All targets in OG5_128924
Loa Loa (eye worm)	hypothetical protein	Get druggable targets OG5_133264	All targets in OG5_133264
Schistosoma japonicum	ko:K04135 adrenergic receptor, alpha 1a, putative	Get druggable targets OG5_128924	All targets in OG5_128924
Leishmania braziliensis	C-8 sterol isomerase-like protein	Get druggable targets OG5_131051	All targets in OG5_131051
Loa Loa (eye worm)	solute carrier family 6 member 4	Get druggable targets OG5_128364	All targets in OG5_128364
Schistosoma japonicum	Sodium-dependent noradrenaline transporter, putative	Get druggable targets OG5_128364	All targets in OG5_128364
Schistosoma japonicum	Sodium-dependent dopamine transporter, putative	Get druggable targets OG5_128364	All targets in OG5_128364
Loa Loa (eye worm)	hypothetical protein	Get druggable targets OG5_131051	All targets in OG5_131051
Schistosoma mansoni	amine GPCR	Get druggable targets OG5_128924	All targets in OG5_128924

By sequence similarity to non orthologous known druggable targets

Species	Potential target	Known druggable target	Length	Alignment span	Identity
Brugia malayi	hypothetical protein	dopamine receptor D3	400 aa	392 aa	19.9 %
Brugia malayi	Sodium:neurotransmitter symporter family protein	solute carrier family 6 (neurotransmitter transporter), member 3	620 aa	579 aa	33.2 %

Ranking Plot

Putative Targets List

Species	Potential target	Raw	Global	Species
Wolbachia endosymbiont of Brugia malayi	O-methyltransferase	0.0388	0.0973	0.5
Trypanosoma cruzi	C-8 sterol isomerase, putative	0.0445	0.1126	0.5
Schistosoma mansoni	hypothetical protein	0.005	0.0061	0.0401
Schistosoma mansoni	o-methyltransferase	0.0388	0.0973	0.6372
Schistosoma mansoni	transcription factor LCR-F1	0.0044	0.0046	0.0299
Loa Loa (eye worm)	O-methyltransferase	0.0388	0.0973	0.7221
Entamoeba histolytica	hypothetical protein	0.0044	0.0046	0.1641
Brugia malayi	CHE-14 protein	0.0051	0.0066	0.0588
Schistosoma mansoni	niemann-pick C1 (NPC1)	0.0122	0.0255	0.1672
Echinococcus granulosus	Protein patched homolog 1	0.0051	0.0066	0.0639
Loa Loa (eye worm)	hypothetical protein	0.0109	0.0223	0.1654
Schistosoma mansoni	hypothetical protein	0.005	0.0061	0.0401
Echinococcus multilocularis	muscleblind protein	0.0182	0.0417	0.1614
Echinococcus multilocularis	serotonin transporter	0.0109	0.0223	0.0862
Onchocerca volvulus		0.0109	0.0223	0.229
Loa Loa (eye worm)	hypothetical protein	0.0051	0.0066	0.0491
Loa Loa (eye worm)	hypothetical protein	0.0029	0.0005	0.004
Schistosoma mansoni	o-methyltransferase	0.0388	0.0973	0.6372
Loa Loa (eye worm)	serotonin transporter b	0.0109	0.0223	0.1654
Loa Loa (eye worm)	hypothetical protein	0.0445	0.1126	0.8357
Brugia malayi	O-methyltransferase family protein	0.0388	0.0973	0.8641
Brugia malayi	AMP-binding enzyme family protein	0.0029	0.0005	0.0048
Loa Loa (eye worm)	hypothetical protein	0.0041	0.0039	0.0293
Loa Loa (eye worm)	norepinephrine transporter	0.0109	0.0223	0.1654
Schistosoma mansoni	o-methyltransferase	0.0388	0.0973	0.6372
Trypanosoma brucei	C-8 sterol isomerase, putative	0.0445	0.1126	0.5
Loa Loa (eye worm)	hypothetical protein	0.0029	0.0005	0.004
Loa Loa (eye worm)	solute carrier family 6 member 4	0.0109	0.0223	0.1654
Loa Loa (eye worm)	hypothetical protein	0.0388	0.0973	0.7221
Onchocerca volvulus		0.0388	0.0973	1
Echinococcus multilocularis	atpase aaa+ type core atpase aaa type core	0.0986	0.2586	1
Brugia malayi	ERG2 and Sigma1 receptor like protein	0.0445	0.1126	1
Loa Loa (eye worm)	hypothetical protein	0.0109	0.0223	0.1654
Loa Loa (eye worm)	hypothetical protein	0.0527	0.1348	1
Loa Loa (eye worm)	hypothetical protein	0.0063	0.0097	0.0723
Schistosoma mansoni	patched 1	0.0051	0.0066	0.0433
Treponema pallidum	sodium- and chloride- dependent transporter	0.0109	0.0223	0.5
Echinococcus multilocularis	protein dispatched 1	0.0059	0.0086	0.0332
Schistosoma mansoni	hypothetical protein	0.0044	0.0046	0.0299
Loa Loa (eye worm)	hypothetical protein	0.0227	0.054	0.4009
Echinococcus granulosus	muscleblind protein	0.0182	0.0417	0.4031
Brugia malayi	O-methyltransferase	0.0388	0.0973	0.8641
Entamoeba histolytica	hypothetical protein	0.0044	0.0046	0.1641
Schistosoma mansoni	intracisternal A-particle retropepsin (A02 family)	0.0594	0.1527	1
Echinococcus multilocularis	sterol regulatory element binding protein	0.0051	0.0066	0.0256
Echinococcus multilocularis	Niemann Pick C1 protein	0.012	0.025	0.0969
Echinococcus multilocularis	muscleblind protein 1	0.0182	0.0417	0.1614
Entamoeba histolytica	Niemann-Pick C1 protein, putative	0.012	0.025	1
Loa Loa (eye worm)	hypothetical protein	0.0527	0.1348	1
Echinococcus granulosus	Basic leucine zipper bZIP transcription	0.0044	0.0046	0.0441
Entamoeba histolytica	hypothetical protein	0.0044	0.0046	0.1641
Loa Loa (eye worm)	pigment dispersing factor receptor c	0.0061	0.0091	0.0676
Loa Loa (eye worm)	hypothetical protein	0.0182	0.0417	0.3097
Brugia malayi	AMP-binding enzyme family protein	0.0029	0.0005	0.0048
Echinococcus multilocularis	protein patched	0.0051	0.0066	0.0256
Echinococcus granulosus	Niemann Pick C1 protein	0.012	0.025	0.2419
Onchocerca volvulus		0.0029	0.0005	0.0056
Loa Loa (eye worm)	abnormal chemotaxis protein 14	0.0051	0.0066	0.0491
Schistosoma mansoni	sodium/chloride dependent transporter	0.0109	0.0223	0.1459
Schistosoma mansoni	amine GPCR	0.0227	0.0539	0.3529
Schistosoma mansoni	hypothetical protein	0.005	0.0061	0.0401
Schistosoma mansoni	hypothetical protein	0.005	0.0061	0.0401
Echinococcus multilocularis	tumor protein p63	0.0411	0.1035	0.4004
Schistosoma mansoni	hypothetical protein	0.0041	0.0039	0.0258
Entamoeba histolytica	hypothetical protein	0.0044	0.0046	0.1641
Brugia malayi	Muscleblind-like protein	0.0182	0.0417	0.3706
Echinococcus granulosus	serotonin transporter	0.0109	0.0223	0.2152
Schistosoma mansoni	cellular tumor antigen P53	0.006	0.009	0.0588
Echinococcus granulosus	sterol regulatory element binding protein	0.0051	0.0066	0.0639
Loa Loa (eye worm)	hypothetical protein	0.0182	0.0417	0.3097
Onchocerca volvulus		0.0388	0.0973	1
Mycobacterium ulcerans	methyltransferase	0.0388	0.0973	0.0968
Loa Loa (eye worm)	hypothetical protein	0.0029	0.0005	0.004
Brugia malayi	AMP-binding enzyme family protein	0.0029	0.0005	0.0048
Echinococcus granulosus	tumor protein p63	0.0411	0.1035	1
Brugia malayi	Corticotropin releasing factor receptor 2 precursor, putative	0.0061	0.0091	0.0809
Schistosoma mansoni	family A2 unassigned peptidase (A02 family)	0.0108	0.0219	0.1431
Brugia malayi	Calcitonin receptor-like protein seb-1	0.0061	0.0091	0.0809
Loa Loa (eye worm)	hypothetical protein	0.012	0.025	0.1858
Brugia malayi	latrophilin 2 splice variant baaae	0.0041	0.0039	0.035
Brugia malayi	Sodium:neurotransmitter symporter family protein	0.0109	0.0223	0.1979
Echinococcus multilocularis	Basic leucine zipper (bZIP) transcription	0.0044	0.0046	0.0177
Schistosoma mansoni	memapsin-2 (A01 family)	0.0514	0.1313	0.8597
Schistosoma mansoni	norepinephrine/norepinephrine transporter	0.0109	0.0223	0.1459
Echinococcus multilocularis	Niemann Pick C1 protein	0.0171	0.0389	0.1504
Mycobacterium tuberculosis	Probable catechol-O-methyltransferase	0.3349	0.8955	1
Loa Loa (eye worm)	hypothetical protein	0.0109	0.0223	0.1654
Brugia malayi	hypothetical protein	0.0044	0.0046	0.0405
Onchocerca volvulus		0.006	0.009	0.0923
Echinococcus granulosus	Niemann Pick C1 protein	0.0171	0.0389	0.3757
Brugia malayi	Niemann-Pick C1 protein precursor	0.012	0.025	0.2224
Brugia malayi	O-methyltransferase family protein	0.0388	0.0973	0.8641
Trichomonas vaginalis	conserved hypothetical protein	0.0051	0.0066	0.5
Mycobacterium leprae	PROBABLE METHYLTRANSFERASE	0.0388	0.0973	1
Brugia malayi	O-methyltransferase family protein	0.0388	0.0973	0.8641
Loa Loa (eye worm)	hypothetical protein	0.0061	0.0091	0.0676
Leishmania major	C-8 sterol isomerase-like protein	0.0445	0.1126	1
Loa Loa (eye worm)	hypothetical protein	0.006	0.009	0.0667
Echinococcus multilocularis	expressed conserved protein	0.0112	0.0231	0.0893
Mycobacterium tuberculosis	Probable methyltransferase	0.0388	0.0973	0.1081
Schistosoma mansoni	o-methyltransferase	0.0388	0.0973	0.6372
Echinococcus granulosus	expressed conserved protein	0.0112	0.0231	0.223

Activities

Activity type	Activity value	Assay description	Source	Reference
Inhibition (binding)	< 50 %	Inhibition of alpha1A adrenergic receptor at 10 uM	ChEMBL.	22607684
Inhibition (binding)	< 50 %	Inhibition of alpha1D adrenergic receptor at 10 uM	ChEMBL.	22607684
Inhibition (binding)	< 50 %	Inhibition of alpha2A adrenergic receptor at 10 uM	ChEMBL.	22607684
Inhibition (binding)	< 50 %	Inhibition of beta1 adrenergic receptor at 10 uM	ChEMBL.	22607684
Inhibition (binding)	< 50 %	Inhibition of beta2 adrenergic receptor at 10 uM	ChEMBL.	22607684
Inhibition (binding)	< 50 %	Inhibition of beta3 adrenergic receptor at 10 uM	ChEMBL.	22607684
Inhibition (binding)	< 50 %	Inhibition of D1 dopamine receptor at 10 uM	ChEMBL.	22607684
Inhibition (binding)	< 50 %	Inhibition of D2 dopamine receptor at 10 uM	ChEMBL.	22607684
Inhibition (binding)	< 50 %	Inhibition of D4 dopamine receptor at 10 uM	ChEMBL.	22607684
Inhibition (binding)	< 50 %	Inhibition of D5 dopamine receptor at 10 uM	ChEMBL.	22607684
Inhibition (binding)	< 50 %	Inhibition of H1 receptor at 10 uM	ChEMBL.	22607684
Inhibition (binding)	< 50 %	Inhibition of H2 receptor at 10 uM	ChEMBL.	22607684
Inhibition (binding)	< 50 %	Inhibition of H3 receptor at 10 uM	ChEMBL.	22607684
Inhibition (binding)	< 50 %	Inhibition of H4 receptor at 10 uM	ChEMBL.	22607684
Inhibition (binding)	< 50 %	Inhibition of 5-HT1A receptor at 10 uM	ChEMBL.	22607684
Inhibition (binding)	< 50 %	Inhibition of 5-HT1B receptor at 10 uM	ChEMBL.	22607684
Inhibition (binding)	< 50 %	Inhibition of 5-HT1D receptor at 10 uM	ChEMBL.	22607684
Inhibition (binding)	< 50 %	Inhibition of 5-HT1E receptor at 10 uM	ChEMBL.	22607684
Inhibition (binding)	< 50 %	Inhibition of 5-HT2A receptor at 10 uM	ChEMBL.	22607684
Inhibition (binding)	< 50 %	Inhibition of 5-HT2B receptor at 10 uM	ChEMBL.	22607684
Inhibition (binding)	< 50 %	Inhibition of 5-HT2C receptor at 10 uM	ChEMBL.	22607684
Inhibition (binding)	< 50 %	Inhibition of 5-HT3 receptor at 10 uM	ChEMBL.	22607684
Inhibition (binding)	< 50 %	Inhibition of 5-HT5A receptor at 10 uM	ChEMBL.	22607684
Inhibition (binding)	< 50 %	Inhibition of 5-HT6 receptor at 10 uM	ChEMBL.	22607684
Inhibition (binding)	< 50 %	Inhibition of 5-HT7 receptor at 10 uM	ChEMBL.	22607684
Inhibition (binding)	< 50 %	Inhibition of SERT at 10 uM	ChEMBL.	22607684
Inhibition (binding)	< 50 %	Inhibition of NET at 10 uM	ChEMBL.	22607684
Inhibition (binding)	< 50 %	Inhibition of delta opioid receptor at 10 uM	ChEMBL.	22607684
Inhibition (binding)	< 50 %	Inhibition of kappa opioid receptor at 10 uM	ChEMBL.	22607684
Inhibition (binding)	< 50 %	Inhibition of mu opioid receptor at 10 uM	ChEMBL.	22607684
Ki (binding)	= 7 nM	Displacement of [3H](+)-pentazocine from sigma1 receptor in rat brain homogenate	ChEMBL.	22607684
Ki (binding)	= 661 nM	Inhibition of M3 muscarinic receptor	ChEMBL.	22607684
Ki (binding)	= 696 nM	Inhibition of M2 muscarinic receptor	ChEMBL.	22607684
Ki (binding)	= 802 nM	Inhibition of M5 muscarinic receptor	ChEMBL.	22607684
Ki (binding)	= 1098 nM	Inhibition of M4 muscarinic receptor	ChEMBL.	22607684
Ki (binding)	= 4241 nM	Inhibition of alpha2B adrenergic receptor	ChEMBL.	22607684
Ki (binding)	= 4264 nM	Inhibition of alpha2C adrenergic receptor	ChEMBL.	22607684
Ki (binding)	= 7958 nM	Inhibition of M1 muscarinic receptor	ChEMBL.	22607684
Ki (binding)	> 10000 nM	Inhibition of alpha1B adrenergic receptor	ChEMBL.	22607684
Ki (binding)	> 10000 nM	Inhibition of D3 dopamine receptor	ChEMBL.	22607684
Ki (binding)	> 10000 nM	Inhibition of DAT	ChEMBL.	22607684

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: CHEMBL2030626

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 1656099