TDR Targets

Basic information

Technical information

Name: Unnamed compound
MW: 280.364 | Formula: C18H20N2O
H donors: 0 H acceptors: 1 LogP: 2.85 Rotable bonds: 2
Rule of 5 violations (Lipinski): 1
SMILES: Cc1ccc(cc1)c1noc(c1)/C=C/1\CN2CCC1CC2
InChi: 1S/C18H20N2O/c1-13-2-4-15(5-3-13)18-11-17(21-19-18)10-16-12-20-8-6-14(16)7-9-20/h2-5,10-11,14H,6-9,12H2,1H3/b16-10+
InChiKey: ZRQTXCLHQAFFSA-MHWRWJLKSA-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

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
Loa Loa (eye worm)	hypothetical protein	0.0113	0.0205	0.0205
Trichomonas vaginalis	thymidylate kinase, putative	0.0691	1	0.5
Brugia malayi	Nuclear hormone receptor family member nhr-19	0.0214	0.1912	0.1912
Schistosoma mansoni	retinoid-x-receptor (RXR)	0.0113	0.0205	0.0205
Loa Loa (eye worm)	hypothetical protein	0.0214	0.1912	0.1912
Echinococcus granulosus	ecdysone induced protein 78C	0.0214	0.1912	0.1912
Loa Loa (eye worm)	nuclear hormone receptor family member nhr-1	0.0214	0.1912	0.1912
Echinococcus multilocularis	nuclear receptor 2DBD gamma	0.0214	0.1912	0.1912
Brugia malayi	Nuclear hormone receptor family member nhr-14	0.0214	0.1912	0.1912
Loa Loa (eye worm)	hypothetical protein	0.0214	0.1912	0.1912
Brugia malayi	nuclear hormone receptor	0.0214	0.1912	0.1912
Brugia malayi	Nuclear hormone receptor family member nhr-3	0.0214	0.1912	0.1912
Schistosoma mansoni	thyroid hormone receptor	0.0214	0.1912	0.1912
Loa Loa (eye worm)	nuclear hormone receptor family member nhr-49	0.0214	0.1912	0.1912
Echinococcus granulosus	hepatocyte nuclear factor 4 alpha	0.0214	0.1912	0.1912
Brugia malayi	Nuclear hormone receptor family member nhr-25	0.0214	0.1912	0.1912
Mycobacterium ulcerans	thymidylate kinase	0.0691	1	0.5
Brugia malayi	Nuclear hormone receptor family member nhr-49	0.0214	0.1912	0.1912
Loa Loa (eye worm)	hypothetical protein	0.0113	0.0205	0.0205
Onchocerca volvulus		0.0214	0.1912	0.1912
Schistosoma mansoni	nuclear receptor 2DBD-gamma	0.0214	0.1912	0.1912
Trypanosoma cruzi	thymidylate kinase, putative	0.0691	1	1
Loa Loa (eye worm)	thymidylate kinase	0.0691	1	1
Toxoplasma gondii	thymidylate kinase	0.0691	1	0.5
Brugia malayi	Nuclear hormone receptor family member nhr-40	0.0214	0.1912	0.1912
Chlamydia trachomatis	thymidylate kinase	0.0691	1	0.5
Schistosoma mansoni	ecdysone-induced protein 78c (dr-78)	0.0113	0.0205	0.0205
Echinococcus multilocularis	thymidylate kinase	0.0691	1	1
Echinococcus granulosus	FTZ F1 alpha	0.0214	0.1912	0.1912
Echinococcus multilocularis	ecdysone induced protein 78C	0.0214	0.1912	0.1912
Brugia malayi	Steroid receptor seven-up type 2	0.0214	0.1912	0.1912
Echinococcus granulosus	Nuclear hormone receptor family member nhr 41	0.0214	0.1912	0.1912
Loa Loa (eye worm)	steroid hormone receptor	0.0214	0.1912	0.1912
Brugia malayi	Nuclear hormone receptor-like 1	0.0113	0.0205	0.0205
Echinococcus multilocularis	nuclear receptor 2DBD gamma	0.0214	0.1912	0.1912
Brugia malayi	nuclear receptor NHR-88	0.0214	0.1912	0.1912
Brugia malayi	Nuclear hormone receptor-like 1	0.0214	0.1912	0.1912
Loa Loa (eye worm)	nuclear hormone receptor family member nhr-14	0.0214	0.1912	0.1912
Onchocerca volvulus	Putative thymidylate kinase	0.0691	1	1
Echinococcus multilocularis	COUP TF:Svp nuclear hormone receptor	0.0214	0.1912	0.1912
Plasmodium falciparum	thymidylate kinase	0.0691	1	0.5
Loa Loa (eye worm)	hypothetical protein	0.0113	0.0205	0.0205
Schistosoma mansoni	RAR-like nuclear receptor	0.0214	0.1912	0.1912
Loa Loa (eye worm)	nuclear hormone receptor family member nhr-31	0.0214	0.1912	0.1912
Brugia malayi	Nuclear hormone receptor family member nhr-19	0.0214	0.1912	0.1912
Entamoeba histolytica	Thymidylate kinase, putative	0.0691	1	0.5
Echinococcus granulosus	nuclear receptor 2DBD gamma	0.0214	0.1912	0.1912
Schistosoma mansoni	coup transcription factor	0.0214	0.1912	0.1912
Brugia malayi	photoreceptor-specific nuclear receptor	0.0214	0.1912	0.1912
Schistosoma mansoni	hypothetical protein	0.0691	1	1
Onchocerca volvulus	Bile acid receptor homolog	0.0214	0.1912	0.1912
Onchocerca volvulus	Protein ultraspiracle homolog	0.0214	0.1912	0.1912
Mycobacterium tuberculosis	Thymidylate kinase Tmk (dTMP kinase) (thymidylic acid kinase) (TMPK)	0.0691	1	0.5
Plasmodium vivax	thymidylate kinase, putative	0.0691	1	0.5
Schistosoma mansoni	thymidylate kinase	0.0691	1	1
Wolbachia endosymbiont of Brugia malayi	thymidylate kinase	0.0691	1	0.5
Echinococcus granulosus	nuclear receptor subfamily 1 group D	0.0113	0.0205	0.0205
Schistosoma mansoni	nuclear hormone receptor nor-1/nor-2	0.0214	0.1912	0.1912
Schistosoma mansoni	nuclear hormone receptor	0.0214	0.1912	0.1912
Brugia malayi	Nuclear hormone receptor-like 1	0.0113	0.0205	0.0205
Brugia malayi	nuclear receptor RXR	0.0113	0.0205	0.0205
Trichomonas vaginalis	thymidylate kinase, putative	0.0691	1	0.5
Loa Loa (eye worm)	hypothetical protein	0.0214	0.1912	0.1912
Giardia lamblia	CDC8	0.0691	1	0.5
Schistosoma mansoni	retinoid-x-receptor (RXR)	0.0214	0.1912	0.1912
Brugia malayi	Nuclear hormone receptor family member nhr-41	0.0214	0.1912	0.1912
Schistosoma mansoni	steroid hormone receptor ad4bp	0.0214	0.1912	0.1912
Echinococcus multilocularis	FTZ F1 alpha	0.0214	0.1912	0.1912
Loa Loa (eye worm)	hypothetical protein	0.0113	0.0205	0.0205
Schistosoma mansoni	photoreceptor-specific nuclear receptor related	0.0214	0.1912	0.1912
Mycobacterium leprae	probable thymidylate kinase Tmk (dTMP KINASE) (THYMIDYLIC ACID KINASE) (TMPK)	0.0691	1	0.5
Echinococcus multilocularis	FTZ F1 nuclear receptor protein	0.0214	0.1912	0.1912
Echinococcus multilocularis	nuclear receptor subfamily 1 group D	0.0113	0.0205	0.0205
Loa Loa (eye worm)	nuclear hormone receptor family member nhr-40	0.0214	0.1912	0.1912
Echinococcus granulosus	thymidylate kinase	0.0691	1	1
Loa Loa (eye worm)	hypothetical protein	0.0214	0.1912	0.1912
Brugia malayi	hypothetical protein	0.0113	0.0205	0.0205
Brugia malayi	Nuclear hormone receptor family member nhr-1	0.0214	0.1912	0.1912
Loa Loa (eye worm)	hypothetical protein	0.0113	0.0205	0.0205
Echinococcus granulosus	nuclear receptor 2DBD gamma	0.0214	0.1912	0.1912
Trypanosoma cruzi	thymidylate kinase, putative	0.0691	1	1
Brugia malayi	Nuclear hormone receptor family member nhr-31	0.0214	0.1912	0.1912
Echinococcus multilocularis	thyroid hormone receptor alpha	0.0214	0.1912	0.1912
Schistosoma mansoni	thymidylate kinase	0.0691	1	1
Loa Loa (eye worm)	hypothetical protein	0.0214	0.1912	0.1912
Echinococcus multilocularis	Nuclear hormone receptor family member nhr 41	0.0214	0.1912	0.1912
Loa Loa (eye worm)	hypothetical protein	0.0214	0.1912	0.1912
Onchocerca volvulus	Steroid hormone receptor family member cnr14 homolog	0.0214	0.1912	0.1912
Brugia malayi	Ligand-binding domain of nuclear hormone receptor family protein	0.0214	0.1912	0.1912
Echinococcus granulosus	retinoic acid receptor rxr beta a	0.0214	0.1912	0.1912
Trypanosoma brucei	thymidylate kinase, putative	0.0691	1	0.5
Brugia malayi	ecdysteroid receptor	0.0214	0.1912	0.1912
Brugia malayi	Ligand-binding domain of nuclear hormone receptor family protein	0.0214	0.1912	0.1912
Treponema pallidum	thymidylate kinase (tmk)	0.0691	1	0.5
Schistosoma mansoni	retinoic acid receptor RXR	0.0214	0.1912	0.1912
Loa Loa (eye worm)	hypothetical protein	0.0214	0.1912	0.1912
Brugia malayi	Nuclear hormone receptor family member nhr-25	0.0214	0.1912	0.1912
Schistosoma mansoni	FTZ-F1 nuclear receptor-like protein	0.0214	0.1912	0.1912
Schistosoma mansoni	Tr4/Tr2 (homologue)	0.0214	0.1912	0.1912
Trypanosoma brucei	thymidylate kinase, putative	0.0691	1	0.5
Loa Loa (eye worm)	hypothetical protein	0.0214	0.1912	0.1912
Echinococcus granulosus	FTZ F1 nuclear receptor protein	0.0214	0.1912	0.1912
Loa Loa (eye worm)	nuclear hormone receptor family member nhr-41	0.0214	0.1912	0.1912
Loa Loa (eye worm)	nuclear hormone receptor-like 1	0.0113	0.0205	0.0205
Leishmania major	thymidylate kinase-like protein	0.0691	1	1
Echinococcus granulosus	COUP TF:Svp nuclear hormone receptor	0.0214	0.1912	0.1912
Schistosoma mansoni	thyroid hormone receptor	0.0214	0.1912	0.1912
Brugia malayi	steroid hormone receptor	0.0214	0.1912	0.1912
Loa Loa (eye worm)	nuclear Hormone Receptor family member	0.0214	0.1912	0.1912
Echinococcus multilocularis	hepatocyte nuclear factor 4 alpha	0.0214	0.1912	0.1912
Brugia malayi	hypothetical protein	0.0113	0.0205	0.0205

Activities

Activity type	Activity value	Assay description	Source	Reference
Inhibition (binding)	= 0 %	Ability to displace [3H]-N-methylscopolamine binding to M1 human recombinant muscarinic receptor in CHO cells at concentration 1 microM.	ChEMBL.	10522693
Inhibition (binding)	= 0 %	Ability to displace [3H]-N-methylscopolamine binding to M1 human recombinant muscarinic receptor in CHO cells at concentration 10 microM.	ChEMBL.	10522693
Inhibition (binding)	= 0 %	Ability to displace [3H]-N-methylscopolamine binding to M2 human recombinant muscarinic receptor in CHO cells at concentration 1 microM.	ChEMBL.	10522693
Inhibition (binding)	= 0 %	Ability to displace [3H]-N-methylscopolamine binding to M3 human recombinant muscarinic receptor in CHO cells at concentration 1 microM.	ChEMBL.	10522693
Inhibition (binding)	= 0 %	Ability to displace [3H]-N-methylscopolamine binding to M3 human recombinant muscarinic receptor in CHO cells at concentration 10 microM.	ChEMBL.	10522693
Inhibition (binding)	= 0 %	Ability to displace [3H]-N-methylscopolamine binding to M1 human recombinant muscarinic receptor in CHO cells at concentration 1 microM.	ChEMBL.	10522693
Inhibition (binding)	= 0 %	Ability to displace [3H]-N-methylscopolamine binding to M1 human recombinant muscarinic receptor in CHO cells at concentration 10 microM.	ChEMBL.	10522693
Inhibition (binding)	= 0 %	Ability to displace [3H]-N-methylscopolamine binding to M2 human recombinant muscarinic receptor in CHO cells at concentration 1 microM.	ChEMBL.	10522693
Inhibition (binding)	= 0 %	Ability to displace [3H]-N-methylscopolamine binding to M3 human recombinant muscarinic receptor in CHO cells at concentration 1 microM.	ChEMBL.	10522693
Inhibition (binding)	= 0 %	Ability to displace [3H]-N-methylscopolamine binding to M3 human recombinant muscarinic receptor in CHO cells at concentration 10 microM.	ChEMBL.	10522693
Inhibition (binding)	= 13 %	Ability to displace [3H]-N-methylscopolamine binding to M2 human recombinant muscarinic receptor in CHO cells at concentration 10 microM	ChEMBL.	10522693
Inhibition (binding)	= 13 %	Ability to displace [3H]-N-methylscopolamine binding to M2 human recombinant muscarinic receptor in CHO cells at concentration 10 microM	ChEMBL.	10522693
Inhibition (binding)	= 26 %	Ability to displace [3H]-cytisine binding to nicotinic receptor in synaptic membrane fractions from rat cerebral cortices at a concentration of 10 uM.	ChEMBL.	10522693
Inhibition (binding)	= 26 %	Ability to displace [3H]-cytisine binding to nicotinic receptor in synaptic membrane fractions from rat cerebral cortices at a concentration of 10 uM.	ChEMBL.	10522693

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: CHEMBL96779

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 156644