TDR Targets

Basic information

Technical information

Name: Unnamed compound
MW: 281.392 | Formula: C19H23NO
H donors: 1 H acceptors: 2 LogP: 5.94 Rotable bonds: 6
Rule of 5 violations (Lipinski): 1
SMILES: CCCCC/C=C/C=C/c1nc2ccccc2c(c1C)O
InChi: 1S/C19H23NO/c1-3-4-5-6-7-8-9-13-17-15(2)19(21)16-12-10-11-14-18(16)20-17/h7-14H,3-6H2,1-2H3,(H,20,21)/b8-7+,13-9+
InChiKey: BRECBMAHKUUODI-NJHPPEEMSA-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
Mycobacterium tuberculosis	Probable polyketide synthase Pks15	0.0051	0.0198	0.0527
Mycobacterium ulcerans	thioesterase	0.0105	0.1602	0.2064
Loa Loa (eye worm)	hypothetical protein	0.0112	0.1793	0.3537
Toxoplasma gondii	transporter, cation channel family protein	0.0112	0.1793	0.6934
Trypanosoma cruzi	Voltage-dependent calcium channel subunit, putative	0.0112	0.1793	0.5
Loa Loa (eye worm)	hypothetical protein	0.0112	0.1793	0.3537
Mycobacterium leprae	Probable multifunctional mycocerosic acid synthase membrane associated enzyme Mas	0.0134	0.2352	0.481
Toxoplasma gondii	hypothetical protein	0.0112	0.1793	0.6934
Loa Loa (eye worm)	hypothetical protein	0.0112	0.1793	0.3537
Leishmania major	hypothetical protein, conserved	0.0112	0.1793	0.5
Mycobacterium ulcerans	phenolpthiocerol synthesis type-I polyketide synthase PpsC	0.0134	0.2352	0.481
Onchocerca volvulus		0.0118	0.1933	0.0471
Trichomonas vaginalis	voltage and ligand gated potassium channel, putative	0.0112	0.1793	0.5
Leishmania major	calcium channel protein, putative,ion transporter, putative	0.0112	0.1793	0.5
Echinococcus granulosus	transient receptor potential cation channel	0.0112	0.1793	0.00000015731
Loa Loa (eye worm)	ryanodine receptor	0.0112	0.1793	0.3537
Loa Loa (eye worm)	hypothetical protein	0.0112	0.1793	0.3537
Mycobacterium leprae	PROBABLE THIOESTERASE TESA	0.0105	0.1602	0.2064
Onchocerca volvulus	Fatty acid synthase homolog	0.0227	0.4776	1
Loa Loa (eye worm)	hypothetical protein	0.0112	0.1793	0.3537
Echinococcus granulosus	transient receptor potential cation channel	0.0429	0.9994	1
Mycobacterium tuberculosis	Probable polyketide synthase Pks5	0.0122	0.2048	0.5436
Loa Loa (eye worm)	fatty acid synthase	0.0125	0.2105	0.4318
Loa Loa (eye worm)	hypothetical protein	0.0112	0.1793	0.3537
Loa Loa (eye worm)	voltage-gated potassium channel	0.0112	0.1793	0.3537
Echinococcus multilocularis	transient receptor potential cation channel	0.0112	0.1793	0.00000015719
Loa Loa (eye worm)	hypothetical protein	0.0113	0.1799	0.3553
Toxoplasma gondii	hypothetical protein	0.0112	0.1793	0.6934
Loa Loa (eye worm)	hypothetical protein	0.0071	0.0709	0.0823
Mycobacterium ulcerans	multifunctional mycocerosic acid synthase membrane-associated Mas	0.0134	0.2352	0.481
Mycobacterium tuberculosis	Phenolpthiocerol synthesis type-I polyketide synthase PpsA	0.0126	0.2148	0.5702
Echinococcus multilocularis	short transient receptor potential channel 6	0.0113	0.1799	0.0008
Toxoplasma gondii	transporter, cation channel family protein	0.0112	0.1793	0.6934
Mycobacterium ulcerans	thioesterase TesA	0.0105	0.1602	0.2064
Echinococcus granulosus	transient receptor potential cation channel	0.0113	0.1799	0.0008
Loa Loa (eye worm)	calcium channel	0.0112	0.1793	0.3537
Mycobacterium tuberculosis	Polyketide synthase Pks13	0.0189	0.3767	1
Loa Loa (eye worm)	hypothetical protein	0.0112	0.1793	0.3537
Toxoplasma gondii	type I fatty acid synthase, putative	0.0134	0.2352	1
Brugia malayi	olfactory channel protein osm-9	0.0113	0.1799	0.0019
Loa Loa (eye worm)	ion channel NompC	0.0112	0.1793	0.3537
Loa Loa (eye worm)	cyclic-nucleotide gated cation channel	0.0112	0.1793	0.3537
Mycobacterium tuberculosis	Polyketide synthase Pks12	0.0134	0.2352	0.6242
Mycobacterium ulcerans	polyketide synthase Pks13	0.0189	0.3767	1
Mycobacterium ulcerans	Type I modular polyketide synthase	0.0126	0.2148	0.4065
Echinococcus multilocularis	ankyrin repeat protein	0.0316	0.7076	0.6437
Mycobacterium leprae	PHENOLPTHIOCEROL SYNTHESIS TYPE-I POLYKETIDE SYNTHASE PPSA	0.0126	0.2148	0.4065
Mycobacterium leprae	PHENOLPTHIOCEROL SYNTHESIS TYPE-I POLYKETIDE SYNTHASE PPSC	0.0134	0.2352	0.481
Loa Loa (eye worm)	voltage-gated potassium channel	0.0112	0.1793	0.3537
Trichomonas vaginalis	voltage and ligand gated potassium channel, putative	0.0112	0.1793	0.5
Loa Loa (eye worm)	hypothetical protein	0.0112	0.1793	0.3537
Schistosoma mansoni	transient receptor potential channel	0.0112	0.1793	0.0000002442
Loa Loa (eye worm)	AMP-binding enzyme family protein	0.0118	0.1933	0.3889
Toxoplasma gondii	transporter, cation channel family protein	0.0112	0.1793	0.6934
Loa Loa (eye worm)	hypothetical protein	0.0212	0.4374	1
Loa Loa (eye worm)	voltage-dependent calcium channel	0.0112	0.1793	0.3537
Brugia malayi	Beta-ketoacyl synthase, N-terminal domain containing protein	0.0126	0.2148	0.1081
Mycobacterium leprae	PHENOLPTHIOCEROL SYNTHESIS TYPE-I POLYKETIDE SYNTHASE PPSB	0.0102	0.1509	0.172
Mycobacterium tuberculosis	Probable multifunctional mycocerosic acid synthase membrane-associated Mas	0.0134	0.2352	0.6242
Toxoplasma gondii	3'5'-cyclic nucleotide phosphodiesterase domain-containing protein	0.0112	0.1793	0.6934
Toxoplasma gondii	type I fatty acid synthase, putative	0.009	0.1205	0.3708
Mycobacterium tuberculosis	Probable polyketide synthase Pks8	0.0103	0.1552	0.4119
Loa Loa (eye worm)	voltage-gated calcium channel	0.0112	0.1793	0.3537
Mycobacterium tuberculosis	Probable polyketide synthase Pks7	0.0134	0.2352	0.6242
Loa Loa (eye worm)	hypothetical protein	0.0112	0.1793	0.3537
Loa Loa (eye worm)	hypothetical protein	0.0112	0.1793	0.3537
Mycobacterium ulcerans	polyketide synthase	0.0126	0.2148	0.4065
Mycobacterium tuberculosis	Probable membrane bound polyketide synthase Pks6	0.0189	0.3767	1
Mycobacterium ulcerans	phenolpthiocerol synthesis type-I polyketide synthase PpsB	0.0102	0.1509	0.172
Mycobacterium tuberculosis	Phenolpthiocerol synthesis type-I polyketide synthase PpsD	0.0126	0.2148	0.5702
Loa Loa (eye worm)	hypothetical protein	0.0112	0.1793	0.3537
Loa Loa (eye worm)	voltage and ligand gated potassium channel	0.0112	0.1793	0.3537
Mycobacterium leprae	Probable polyketide synthase Pks1	0.0134	0.2352	0.481
Leishmania major	hypothetical protein, unknown function	0.0112	0.1793	0.5
Mycobacterium tuberculosis	Phenolpthiocerol synthesis type-I polyketide synthase PpsC	0.0126	0.2148	0.5702
Mycobacterium ulcerans	phenolpthiocerol synthesis type-I polyketide synthase PpsA	0.0102	0.1509	0.172
Trypanosoma brucei	inositol 1,4,5-trisphosphate receptor	0.0112	0.1793	0.5
Loa Loa (eye worm)	hypothetical protein	0.0112	0.1793	0.3537
Loa Loa (eye worm)	hypothetical protein	0.0112	0.1793	0.3537
Trypanosoma brucei	Voltage-dependent calcium channel subunit, putative	0.0112	0.1793	0.5
Loa Loa (eye worm)	hypothetical protein	0.0112	0.1793	0.3537
Onchocerca volvulus		0.022	0.4572	0.9318
Mycobacterium ulcerans	Type I modular polyketide synthase	0.0126	0.2148	0.4065
Loa Loa (eye worm)	cyclic-nucleotide gated cation channel	0.0112	0.1793	0.3537
Echinococcus granulosus	short transient receptor potential channel 6	0.0113	0.1799	0.0008
Trypanosoma cruzi	inositol 1,4,5-trisphosphate receptor, putative	0.0112	0.1793	0.5
Mycobacterium tuberculosis	Polyketide synthase Pks2	0.0122	0.2048	0.5436
Echinococcus multilocularis	transient receptor potential cation channel	0.0113	0.1799	0.0008
Loa Loa (eye worm)	hypothetical protein	0.0112	0.1793	0.3537
Toxoplasma gondii	beta-ketoacyl synthase, N-terminal domain-containing protein	0.0082	0.0998	0.2574
Mycobacterium tuberculosis	Probable polyketide synthase Pks9	0.0072	0.0736	0.1953
Loa Loa (eye worm)	hypothetical protein	0.0112	0.1793	0.3537
Loa Loa (eye worm)	hypothetical protein	0.0112	0.1793	0.3537
Loa Loa (eye worm)	hypothetical protein	0.0112	0.1793	0.3537
Mycobacterium leprae	PHENOLPTHIOCEROL SYNTHESIS TYPE-I POLYKETIDE SYNTHASE PPSD	0.0126	0.2148	0.4065
Brugia malayi	AMP-binding enzyme family protein	0.0118	0.1933	0.0427
Loa Loa (eye worm)	hypothetical protein	0.0112	0.1793	0.3537
Brugia malayi	oxidoreductase, zinc-binding dehydrogenase family protein	0.0239	0.5079	1
Mycobacterium leprae	Polyketide synthase Pks13	0.0189	0.3767	1
Echinococcus granulosus	ankyrin repeat protein	0.0316	0.7076	0.6442
Mycobacterium ulcerans	Type I modular polyketide synthase	0.0126	0.2148	0.4065
Toxoplasma gondii	3'5'-cyclic nucleotide phosphodiesterase domain-containing protein	0.0112	0.1793	0.6934
Schistosoma mansoni	transient receptor potential cation channel subfamily A member	0.0316	0.7076	1
Mycobacterium tuberculosis	Phenyloxazoline synthase MbtB (phenyloxazoline synthetase)	0.0118	0.1933	0.5131
Mycobacterium tuberculosis	Probable polyketide synthase Pks1	0.0091	0.1226	0.3255
Mycobacterium ulcerans	phenolpthiocerol synthesis type-I polyketide synthase PpsD	0.0126	0.2148	0.4065
Schistosoma mansoni	transient receptor potential channel	0.0112	0.1793	0.0000002442
Mycobacterium tuberculosis	Probable thioesterase TesA	0.0105	0.1602	0.4254
Loa Loa (eye worm)	hypothetical protein	0.0112	0.1793	0.3537
Loa Loa (eye worm)	hypothetical protein	0.0112	0.1793	0.3537
Mycobacterium ulcerans	polyketide synthase	0.0134	0.2352	0.481
Schistosoma mansoni	transient receptor potential channel	0.0113	0.1799	0.0012

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: CHEMBL2271252

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 1837728