TDR Targets

Basic information

Technical information

Name: Unnamed compound
MW: 280.384 | Formula: C19H22NO+
H donors: 0 H acceptors: 0 LogP: 3.69 Rotable bonds: 2
Rule of 5 violations (Lipinski): 1
SMILES: CCOC1C2c3ccccc3C(C1(C)C)[n+]1c2cccc1
InChi: 1S/C19H22NO/c1-4-21-18-16-13-9-5-6-10-14(13)17(19(18,2)3)20-12-8-7-11-15(16)20/h5-12,16-18H,4H2,1-3H3/q+1
InChiKey: OALKKWLRMONCOS-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

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
Echinococcus multilocularis	lysine specific demethylase 6a	0.0018	0.1405	0.0458
Trypanosoma brucei	DNA-directed RNA polymerase I largest subunit	0.0027	0.2956	1
Brugia malayi	jmjC domain containing protein	0.0066	0.9636	1
Toxoplasma gondii	aldehyde dehydrogenase	0.0068	1	1
Giardia lamblia	RNA polymerase AI large subunit	0.003	0.3536	1
Echinococcus granulosus	JmjC domain containing protein 4	0.0018	0.1405	0.0458
Leishmania major	DNA-directed rna polymerase I largest subunit, putative	0.0027	0.2956	0.2179
Trypanosoma cruzi	DNA-directed rna polymerase I largest subunit, putative	0.0027	0.2956	1
Echinococcus granulosus	Transcription factor JmjC domain containing protein	0.0066	0.9636	0.9596
Echinococcus multilocularis	jumonji domain containing 1A	0.0018	0.1405	0.0458
Schistosoma mansoni	protein phosphatase 2C	0.0018	0.1405	0.0458
Schistosoma mansoni	phosphatidylserine receptor	0.0018	0.1405	0.0458
Mycobacterium ulcerans	aldehyde dehydrogenase	0.0068	1	1
Loa Loa (eye worm)	jmjC domain-containing protein	0.0018	0.1405	0.0477
Loa Loa (eye worm)	hypothetical protein	0.0018	0.1405	0.0477
Echinococcus granulosus	phd:f box containing protein	0.0018	0.1405	0.0458
Schistosoma mansoni	jumonji/arid domain-containing protein	0.0066	0.9636	0.9596
Brugia malayi	jmjC domain containing protein	0.0066	0.9636	1
Mycobacterium tuberculosis	Probable aldehyde dehydrogenase	0.0068	1	0.5
Chlamydia trachomatis	DNA-directed RNA polymerase subunit beta'	0.0015	0.0993	0.5
Plasmodium falciparum	JmjC domain-containing protein, putative	0.0018	0.1405	0.162
Echinococcus multilocularis	aldehyde dehydrogenase, mitochondrial	0.0068	1	1
Toxoplasma gondii	histone lysine demethylase JMJC1/KDM5D/JARID1D	0.0018	0.1405	0.0458
Echinococcus multilocularis	DNA directed RNA polymerase I subunit RPA1	0.0027	0.2956	0.2179
Wolbachia endosymbiont of Brugia malayi	DNA-directed RNA polymerase subunit beta/beta'	0.0015	0.0993	0.5
Schistosoma mansoni	phd/f-box containing protein	0.0018	0.1405	0.0458
Trypanosoma brucei	JmjC domain, hydroxylase, putative	0.0018	0.1405	0.4754
Toxoplasma gondii	DNA-directed RNA polymerase I RPA1	0.003	0.3536	0.2824
Echinococcus multilocularis	Transcription factor, JmjC domain containing protein	0.0066	0.9636	0.9596
Brugia malayi	RNA polymerase Rpb1, domain 2 family protein	0.003	0.3536	0.2943
Schistosoma mansoni	jumonji/arid domain-containing protein	0.0066	0.9636	0.9596
Plasmodium vivax	JmjC domain containing protein	0.0018	0.1405	0.162
Loa Loa (eye worm)	jmjC domain-containing protein	0.0066	0.9636	1
Brugia malayi	jmjC domain containing protein	0.0018	0.1405	0.0477
Echinococcus multilocularis	Jumonji, AT rich interactive domain 1B	0.0018	0.1405	0.0458
Echinococcus granulosus	jumonji domain containing 1A	0.0018	0.1405	0.0458
Trypanosoma brucei	RNA polymerase IIA largest subunit	0.0015	0.0993	0.336
Brugia malayi	jmjC domain containing protein	0.0018	0.1405	0.0477
Mycobacterium ulcerans	aldehyde dehydrogenase	0.0068	1	1
Mycobacterium leprae	DNA-DIRECTED RNA POLYMERASE (BETA' CHAIN) RPOC (TRANSCRIPTASE BETA' CHAIN) (RNA POLYMERASE BETA' SUBUNIT).	0.0015	0.0993	0.5
Echinococcus granulosus	DNA directed RNA polymerase I subunit RPA1	0.0027	0.2956	0.2179
Schistosoma mansoni	aldehyde dehydrogenase	0.0068	1	1
Echinococcus multilocularis	phd:f box containing protein	0.0018	0.1405	0.0458
Plasmodium falciparum	RNA polymerase I	0.003	0.3536	1
Schistosoma mansoni	ubiquitously transcribed sex (X/Y) chromosome tetratricopeptide repeat protein-related	0.0018	0.1405	0.0458
Leishmania major	aldehyde dehydrogenase, mitochondrial precursor	0.0068	1	1
Loa Loa (eye worm)	hypothetical protein	0.003	0.3536	0.2943
Brugia malayi	jmjC domain containing protein	0.0018	0.1405	0.0477
Trypanosoma brucei	DNA-directed rna polymerase I largest subunit, putative	0.0027	0.2956	1
Mycobacterium ulcerans	aldehyde dehydrogenase	0.0068	1	1
Trypanosoma brucei	DNA-directed RNA polymerase III subunit C1	0.0015	0.0993	0.336
Echinococcus granulosus	Jumonji AT rich interactive domain 1B	0.0018	0.1405	0.0458
Schistosoma mansoni	jumonji domain containing protein	0.0066	0.9636	0.9596
Trypanosoma cruzi	JmjC domain, hydroxylase, putative	0.0018	0.1405	0.21
Schistosoma mansoni	aldehyde dehydrogenase	0.0068	1	1
Trypanosoma brucei	DNA-directed RNA polymerase II subunit RPB1	0.0015	0.0993	0.336
Loa Loa (eye worm)	hypothetical protein	0.0018	0.1405	0.0477
Plasmodium vivax	DNA-directed RNA polymerase I 190 kDa polypeptide, putative	0.003	0.3536	1
Schistosoma mansoni	DNA-directed RNA polymerase I	0.003	0.3536	0.2824
Loa Loa (eye worm)	jmjC domain-containing protein	0.0018	0.1405	0.0477
Leishmania major	hypothetical protein, conserved	0.0018	0.1405	0.0458
Loa Loa (eye worm)	jmjC domain-containing protein	0.0018	0.1405	0.0477
Echinococcus multilocularis	lysine specific demethylase 5A	0.0066	0.9636	0.9596
Entamoeba histolytica	DNA-directed RNA polymerase I largest subunit, putative	0.003	0.3536	1
Toxoplasma gondii	histone lysine demethylase JMJD6a	0.0018	0.1405	0.0458
Trichomonas vaginalis	RNA polymerase A, putative	0.0027	0.2956	1
Loa Loa (eye worm)	hypothetical protein	0.0018	0.1405	0.0477
Echinococcus multilocularis	JmjC domain containing protein 4	0.0018	0.1405	0.0458
Brugia malayi	jmjC domain containing protein	0.0018	0.1405	0.0477
Echinococcus granulosus	lysine specific demethylase 6a	0.0018	0.1405	0.0458
Schistosoma mansoni	jumonji domain containing protein	0.0018	0.1405	0.0458
Echinococcus granulosus	lysine specific demethylase 5A	0.0066	0.9636	0.9596
Treponema pallidum	DNA-directed RNA polymerase subunit beta'	0.0015	0.0993	0.5
Trypanosoma cruzi	JmjC domain, hydroxylase, putative	0.0018	0.1405	0.21

Activities

No activities found for this compound.

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: CHEMBL1180718

Bibliographic References

No literature references available for this target.

If you have references for this compound, please enter them in a user comment (below) or Contact us.

Detailed information for compound 1150363