TDR Targets

Basic information

Technical information

Name: Unnamed compound
MW: 385.498 | Formula: C26H27NO2
H donors: 1 H acceptors: 2 LogP: 6.66 Rotable bonds: 3
Rule of 5 violations (Lipinski): 1
SMILES: O=C1c2ccccc2[C@@](C(=O)/C/1=c\1/ccc2c([nH]1)cccc2)(C)CCC(C)(C)C
InChi: 1S/C26H27NO2/c1-25(2,3)15-16-26(4)19-11-7-6-10-18(19)23(28)22(24(26)29)21-14-13-17-9-5-8-12-20(17)27-21/h5-14,27H,15-16H2,1-4H3/b22-21-/t26-/m1/s1
InChiKey: VLQZXGWVWJBTFK-CESHLQFJSA-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
Schistosoma mansoni	hypothetical protein	0.0037	0.0313	0.1192
Loa Loa (eye worm)	animal heme peroxidase	0.0113	0.2622	0.2622
Echinococcus granulosus	ATP binding cassette sub family G	0.0031	0.0141	0.0367
Mycobacterium ulcerans	carbon monoxyde dehydrogenase large chain CoxL	0.0088	0.1875	0.618
Loa Loa (eye worm)	hypothetical protein	0.0037	0.0313	0.0313
Loa Loa (eye worm)	hypothetical protein	0.0037	0.0313	0.0313
Loa Loa (eye worm)	hypothetical protein	0.0037	0.0313	0.0313
Plasmodium falciparum	ABC transporter G family member 2	0.0031	0.0141	0.5
Brugia malayi	Animal haem peroxidase family protein	0.0113	0.2622	0.2622
Loa Loa (eye worm)	hypothetical protein	0.0037	0.0313	0.0313
Onchocerca volvulus		0.0079	0.1591	0.5997
Mycobacterium ulcerans	carbon monoxide dehydrogenase	0.0124	0.2955	1
Echinococcus granulosus	ATP binding cassette sub family G	0.0031	0.0141	0.0367
Loa Loa (eye worm)	hypoxia-induced factor 1	0.033	0.9164	0.9164
Loa Loa (eye worm)	hypothetical protein	0.0037	0.0313	0.0313
Brugia malayi	Calcium binding EGF domain containing protein	0.0037	0.0313	0.0313
Loa Loa (eye worm)	hypothetical protein	0.0113	0.2622	0.2622
Echinococcus granulosus	neural cadherin	0.0037	0.0313	0.1034
Onchocerca volvulus	Peroxidase homolog	0.0113	0.2622	1
Schistosoma mansoni	hypothetical protein	0.0037	0.0313	0.1192
Loa Loa (eye worm)	hypothetical protein	0.0037	0.0313	0.0313
Treponema pallidum	hypothetical protein	0.003	0.0129	1
Mycobacterium ulcerans	aerobic-type carbon monoxide dehydrogenase subunit CoxL_2	0.0088	0.1875	0.618
Brugia malayi	EGF-like domain containing protein	0.0037	0.0313	0.0313
Trypanosoma brucei	ABC transporter, putative	0.0031	0.0141	0.5
Echinococcus multilocularis	protein jagged 1	0.0037	0.0313	0.1034
Loa Loa (eye worm)	hypothetical protein	0.0037	0.0313	0.0313
Echinococcus multilocularis	neurogenic locus notch protein	0.0037	0.0313	0.1034
Loa Loa (eye worm)	hypothetical protein	0.0113	0.2622	0.2622
Schistosoma mansoni	notch	0.0037	0.0313	0.1192
Loa Loa (eye worm)	hypothetical protein	0.0037	0.0313	0.0313
Echinococcus granulosus	fibropellin Ia	0.0037	0.0313	0.1034
Loa Loa (eye worm)	animal heme peroxidase	0.0113	0.2622	0.2622
Echinococcus multilocularis	fibropellin Ia	0.0037	0.0313	0.1034
Loa Loa (eye worm)	hypothetical protein	0.0037	0.0313	0.0313
Schistosoma mansoni	septate junction protein	0.0037	0.0313	0.1192
Onchocerca volvulus		0.0037	0.0313	0.1034
Onchocerca volvulus		0.0037	0.0313	0.1034
Echinococcus granulosus	protein jagged 1	0.0037	0.0313	0.1034
Loa Loa (eye worm)	hypothetical protein	0.0113	0.2622	0.2622
Trypanosoma cruzi	ABC transporter, putative	0.0031	0.0141	1
Loa Loa (eye worm)	hypothetical protein	0.0113	0.2622	0.2622
Mycobacterium ulcerans	transmembrane ABC transporter ATP-binding protein	0.0031	0.0141	0.0041
Brugia malayi	Muscle positioning protein 4	0.0037	0.0313	0.0313
Schistosoma mansoni	peroxidasin	0.0113	0.2622	1
Loa Loa (eye worm)	blistered cuticle protein 3	0.0113	0.2622	0.2622
Leishmania major	ATP-binding cassette protein subfamily G, member 4, putative	0.0031	0.0141	1
Loa Loa (eye worm)	animal heme peroxidase	0.0113	0.2622	0.2622
Loa Loa (eye worm)	hypothetical protein	0.0113	0.2622	0.2622
Trichomonas vaginalis	xanthine dehydrogenase, putative	0.0187	0.4863	1
Brugia malayi	EGF-like domain containing protein	0.0037	0.0313	0.0313
Loa Loa (eye worm)	hypothetical protein	0.0037	0.0313	0.0313
Brugia malayi	Cadherin domain containing protein	0.0037	0.0313	0.0313
Brugia malayi	PAS domain containing protein	0.0107	0.2427	0.2427
Onchocerca volvulus	Peroxidase homolog	0.0113	0.2622	1
Echinococcus multilocularis	slit 2 protein	0.0037	0.0313	0.1034
Mycobacterium tuberculosis	Probable carbon monoxyde dehydrogenase (large chain)	0.0088	0.1875	1
Echinococcus granulosus	peroxidasin	0.0113	0.2622	1
Schistosoma mansoni	aryl hydrocarbon receptor	0.0107	0.2427	0.9256
Brugia malayi	Transmembrane cell adhesion receptor mua-3 precursor, putative	0.0037	0.0313	0.0313
Entamoeba histolytica	ABC transporter, putative	0.0031	0.0141	0.5
Schistosoma mansoni	slit	0.0037	0.0313	0.1192
Loa Loa (eye worm)	hypothetical protein	0.0037	0.0313	0.0313
Mycobacterium ulcerans	carbon monoxyde dehydrogenase large chain CoxL	0.0055	0.0886	0.2678
Brugia malayi	Animal haem peroxidase family protein	0.0113	0.2622	0.2622
Mycobacterium ulcerans	carbon monoxyde dehydrogenase small chain CoxS	0.0036	0.029	0.0568
Echinococcus granulosus	protein jagged 1	0.0037	0.0313	0.1034
Onchocerca volvulus		0.0037	0.0313	0.1034
Loa Loa (eye worm)	hypothetical protein	0.0037	0.0313	0.0313
Onchocerca volvulus		0.0037	0.0313	0.1034
Toxoplasma gondii	EGF family domain-containing protein	0.0037	0.0313	1
Echinococcus multilocularis	notch	0.0037	0.0313	0.1034
Echinococcus multilocularis	ATP binding cassette sub family G	0.0031	0.0141	0.0367
Brugia malayi	GCC2 and GCC3 family protein	0.0037	0.0313	0.0313
Echinococcus granulosus	notch	0.0037	0.0313	0.1034
Onchocerca volvulus		0.0113	0.2622	1
Loa Loa (eye worm)	hypothetical protein	0.0113	0.2622	0.2622
Loa Loa (eye worm)	aryl Hydrocarbon receptor Associated protein family member	0.0028	0.0046	0.0046
Echinococcus multilocularis	ATP binding cassette sub family G	0.0031	0.0141	0.0367
Trypanosoma brucei	ATP-binding cassette protein, putative	0.0031	0.0141	0.5
Loa Loa (eye worm)	hypothetical protein	0.0113	0.2622	0.2622
Echinococcus multilocularis	transfer RNA-Lys	0.0079	0.1591	0.5997
Schistosoma mansoni	notch	0.0037	0.0313	0.1192
Onchocerca volvulus	Peroxidasin homolog	0.0113	0.2622	1
Loa Loa (eye worm)	hypothetical protein	0.0113	0.2622	0.2622
Echinococcus multilocularis	ATP binding cassette sub family G	0.0031	0.0141	0.0367
Loa Loa (eye worm)	hypothetical protein	0.0028	0.0046	0.0046
Loa Loa (eye worm)	hypothetical protein	0.0037	0.0313	0.0313
Mycobacterium ulcerans	putative regulatory protein	0.0079	0.1591	0.5173
Echinococcus granulosus	ATP binding cassette sub family G	0.0031	0.0141	0.0367
Loa Loa (eye worm)	hypothetical protein	0.0113	0.2622	0.2622
Onchocerca volvulus	Slit protein homolog	0.0037	0.0313	0.1034
Trichomonas vaginalis	xanthine dehydrogenase, putative	0.0187	0.4863	1
Loa Loa (eye worm)	hypothetical protein	0.0113	0.2622	0.2622
Echinococcus granulosus	protein jagged 2	0.0037	0.0313	0.1034
Echinococcus granulosus	neurogenic locus notch protein	0.0037	0.0313	0.1034
Brugia malayi	Animal haem peroxidase family protein	0.0113	0.2622	0.2622
Mycobacterium ulcerans	aerobic-type carbon monoxide dehydrogenase subunit CoxM_2	0.0063	0.1119	0.3502
Trichomonas vaginalis	aldehyde oxidase, putative	0.0187	0.4863	1
Schistosoma mansoni	notch	0.0037	0.0313	0.1192
Echinococcus multilocularis	protein jagged 1	0.0037	0.0313	0.1034
Brugia malayi	EGF-like domain containing protein	0.0037	0.0313	0.0313
Onchocerca volvulus		0.0113	0.2622	1
Trypanosoma cruzi	ATP-binding cassette protein, putative	0.0031	0.0141	1
Mycobacterium ulcerans	transmembrane ABC transporter ATP-binding protein	0.0031	0.0141	0.0041
Onchocerca volvulus	Chorion peroxidase homolog	0.0113	0.2622	1
Brugia malayi	Peroxidasin	0.0113	0.2622	0.2622
Brugia malayi	Cadherin domain containing protein	0.0037	0.0313	0.0313
Leishmania major	ATP-binding cassette protein subfamily G, member 6, putative	0.0031	0.0141	1
Echinococcus multilocularis	fat cadherin tumor suppressor	0.0037	0.0313	0.1034
Brugia malayi	Calcium binding EGF domain containing protein	0.0037	0.0313	0.0313
Echinococcus granulosus	slit 2 protein	0.0037	0.0313	0.1034
Brugia malayi	Animal haem peroxidase family protein	0.0113	0.2622	0.2622
Schistosoma mansoni	hypothetical protein	0.0037	0.0313	0.1192
Brugia malayi	EGF-like domain containing protein	0.0037	0.0313	0.0313
Brugia malayi	EGF-like domain containing protein	0.0037	0.0313	0.0313
Loa Loa (eye worm)	Notch2	0.0037	0.0313	0.0313
Loa Loa (eye worm)	notch protein	0.0037	0.0313	0.0313
Echinococcus multilocularis	neural cadherin	0.0037	0.0313	0.1034
Loa Loa (eye worm)	hypothetical protein	0.0037	0.0313	0.0313
Brugia malayi	bHLH-PAS transcription factor	0.0079	0.1591	0.1591
Schistosoma mansoni	peroxidasin	0.0113	0.2622	1
Loa Loa (eye worm)	hypothetical protein	0.0037	0.0313	0.0313
Echinococcus multilocularis	protein jagged 2	0.0037	0.0313	0.1034
Onchocerca volvulus	Neurogenic locus notch homolog	0.0037	0.0313	0.1034
Echinococcus granulosus	single minded 2	0.0079	0.1591	0.5997
Schistosoma mansoni	cell polarity protein	0.0037	0.0313	0.1192
Echinococcus multilocularis	neurogenic locus protein delta	0.0037	0.0313	0.1034
Plasmodium vivax	ABC transporter G family member 2, putative	0.0031	0.0141	0.5
Mycobacterium ulcerans	carbon monoxyde dehydrogenase medium chain CoxM	0.0063	0.1119	0.3502
Giardia lamblia	High cysteine protein	0.0037	0.0313	1
Onchocerca volvulus		0.0113	0.2622	1
Loa Loa (eye worm)	hypothetical protein	0.0037	0.0313	0.0313
Schistosoma mansoni	Pro-neuregulin-4 membrane-bound isoform (Pro-NRG4) [Contains: Neuregulin-4 (NRG-4)]	0.0037	0.0313	0.1192
Loa Loa (eye worm)	hypothetical protein	0.0113	0.2622	0.2622
Onchocerca volvulus	Neurogenic locus notch protein homolog	0.0037	0.0313	0.1034
Echinococcus granulosus	neurogenic locus notch protein 4	0.0037	0.0313	0.1034
Loa Loa (eye worm)	hypothetical protein	0.0037	0.0313	0.0313
Brugia malayi	Animal haem peroxidase family protein	0.0113	0.2622	0.2622
Mycobacterium tuberculosis	Probable carbon monoxyde dehydrogenase (medium chain)	0.0063	0.1119	0.5229
Brugia malayi	EGF-like domain containing protein	0.0037	0.0313	0.0313
Loa Loa (eye worm)	hypothetical protein	0.0037	0.0313	0.0313
Loa Loa (eye worm)	hypothetical protein	0.0113	0.2622	0.2622
Schistosoma mansoni	hypothetical protein	0.0037	0.0313	0.1192
Brugia malayi	EGF-like domain containing protein	0.0037	0.0313	0.0313
Loa Loa (eye worm)	hypothetical protein	0.0037	0.0313	0.0313
Onchocerca volvulus	Dual oxidase homolog	0.0113	0.2622	1
Echinococcus granulosus	neurogenic locus notch protein	0.0037	0.0313	0.1034
Loa Loa (eye worm)	hypothetical protein	0.0037	0.0313	0.0313
Loa Loa (eye worm)	hypothetical protein	0.0037	0.0313	0.0313
Loa Loa (eye worm)	animal heme peroxidase	0.0113	0.2622	0.2622
Loa Loa (eye worm)	hypothetical protein	0.0113	0.2622	0.2622
Onchocerca volvulus		0.0037	0.0313	0.1034
Chlamydia trachomatis	two component regulatory system sensor histidine kinase	0.0028	0.0046	0.5
Mycobacterium leprae	Possible regulatory protein	0.0028	0.0046	0.5
Schistosoma mansoni	hypothetical protein	0.0037	0.0313	0.1192
Mycobacterium ulcerans	transmembrane ABC transporter ATP-binding protein	0.0031	0.0141	0.0041
Echinococcus granulosus	protein jagged 2	0.0037	0.0313	0.1034
Echinococcus multilocularis	neurogenic locus protein delta	0.0037	0.0313	0.1034
Brugia malayi	Calcium binding EGF domain containing protein	0.0037	0.0313	0.0313
Brugia malayi	Delta serrate ligand family protein	0.0037	0.0313	0.0313
Onchocerca volvulus	Peroxidasin homolog	0.0113	0.2622	1
Echinococcus multilocularis	neurogenic locus notch protein 4	0.0037	0.0313	0.1034
Brugia malayi	notch-like transmembrane receptor	0.0037	0.0313	0.0313
Schistosoma mansoni	single-minded	0.0107	0.2427	0.9256
Mycobacterium ulcerans	carbon monoxyde dehydrogenase small chain CoxS	0.0036	0.029	0.0568
Schistosoma mansoni	ATP-binding cassette sub-family g2 (white protein) (abcg2)	0.0031	0.0141	0.0537
Schistosoma mansoni	laminin gamma-3 chain	0.0037	0.0313	0.1192
Schistosoma mansoni	notch	0.0037	0.0313	0.1192
Loa Loa (eye worm)	hypothetical protein	0.0113	0.2622	0.2622
Brugia malayi	hypoxia-induced factor 1	0.033	0.9164	0.9164
Echinococcus multilocularis	peroxidasin	0.0113	0.2622	1
Echinococcus granulosus	delta-like protein 1	0.0037	0.0313	0.1034
Brugia malayi	hypothetical protein	0.0113	0.2622	0.2622
Echinococcus multilocularis	neurogenic locus notch protein	0.0037	0.0313	0.1034
Brugia malayi	Blistered cuticle protein 3	0.0113	0.2622	0.2622
Echinococcus granulosus	neurogenic locus protein delta	0.0037	0.0313	0.1034
Schistosoma mansoni	hypothetical protein	0.0037	0.0313	0.1192
Schistosoma mansoni	notch	0.0037	0.0313	0.1192
Onchocerca volvulus	Putative cubilin	0.0037	0.0313	0.1034
Schistosoma mansoni	hypothetical protein	0.0037	0.0313	0.1192
Schistosoma mansoni	notch	0.0037	0.0313	0.1192
Loa Loa (eye worm)	hypothetical protein	0.0037	0.0313	0.0313

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: CHEMBL1682023

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 1506195