TDR Targets

Basic information

Technical information

Name: Unnamed compound
MW: 344.448 | Formula: C20H28N2O3
H donors: 1 H acceptors: 2 LogP: 3.44 Rotable bonds: 8
Rule of 5 violations (Lipinski): 1
SMILES: COc1cccc(c1)NC(=O)C1(C)CCN1C(=O)CCC1CCCC1
InChi: 1S/C20H28N2O3/c1-20(19(24)21-16-8-5-9-17(14-16)25-2)12-13-22(20)18(23)11-10-15-6-3-4-7-15/h5,8-9,14-15H,3-4,6-7,10-13H2,1-2H3,(H,21,24)
InChiKey: OKVUWFBCCYRGKY-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
Loa Loa (eye worm)	hypothetical protein	0.0204	0.1102	0.2499
Schistosoma mansoni	dihydroorotate dehydrogenase	0.0524	0.3894	1
Echinococcus multilocularis	hypothetical protein	0.0204	0.1102	0.2499
Trypanosoma cruzi	dihydroorotate dehydrogenase, putative	0.0524	0.3894	1
Echinococcus granulosus	roundabout 2	0.0113	0.0304	0.0292
Entamoeba histolytica	tyrosin kinase, putative	0.0123	0.0392	0.2911
Schistosoma mansoni	vesicular amine transporter	0.0096	0.0156	0.04
Trichomonas vaginalis	dihydropyrimidine dehydrogenase, putative	0.0205	0.1104	1
Brugia malayi	Dihydroorotate dehydrogenase, mitochondrial precursor, putative	0.0524	0.3894	0.8907
Loa Loa (eye worm)	hypothetical protein	0.0113	0.0304	0.0669
Schistosoma mansoni	hypothetical protein	0.0089	0.0099	0.0254
Brugia malayi	Immunoglobulin I-set domain containing protein	0.0096	0.0156	0.0328
Trichomonas vaginalis	dihydroorotate dehydrogenase, putative	0.0205	0.1104	1
Schistosoma mansoni	hypothetical protein	0.0204	0.1102	0.283
Schistosoma mansoni	tyrosine kinase	0.018	0.0887	0.2278
Entamoeba histolytica	protein kinase domain containing protein	0.0123	0.0392	0.2911
Loa Loa (eye worm)	sema domain-containing protein	0.0204	0.1102	0.2499
Loa Loa (eye worm)	hypothetical protein	0.0113	0.0304	0.0669
Schistosoma mansoni	fibrocystin l	0.0089	0.0099	0.0254
Echinococcus granulosus	epidermal growth factor receptor	0.0112	0.0293	0.028
Echinococcus multilocularis	dihydropyrimidine dehydrogenase (NADP+)	0.0205	0.1104	0.2505
Echinococcus granulosus	neurotracting:lsamp:neurotrimin:obcam	0.0106	0.0239	0.0227
Brugia malayi	Plexin repeat family protein	0.0489	0.3589	0.8205
Loa Loa (eye worm)	hypothetical protein	0.0089	0.0099	0.0198
Schistosoma mansoni	tyrosine kinase	0.0112	0.0293	0.0751
Echinococcus granulosus	dihydropyrimidine dehydrogenase NADP	0.0205	0.1104	0.1093
Echinococcus multilocularis	epidermal growth factor receptor	0.0112	0.0293	0.0642
Schistosoma mansoni	tyrosine kinase	0.0112	0.0293	0.0751
Echinococcus granulosus	melanoma receptor tyrosine protein kinase	0.0112	0.0293	0.028
Brugia malayi	Sema domain containing protein	0.0204	0.1102	0.2499
Loa Loa (eye worm)	plexin A	0.0578	0.4371	1
Wolbachia endosymbiont of Brugia malayi	dihydroorotate dehydrogenase 2	0.0524	0.3894	0.5
Toxoplasma gondii	dihydroorotate dehydrogenase reveal, putative	0.0524	0.3894	0.5
Loa Loa (eye worm)	hypothetical protein	0.0096	0.0156	0.0328
Trichomonas vaginalis	dihydroorotate dehydrogenase, putative	0.0205	0.1104	1
Leishmania major	dihydroorotate dehydrogenase	0.0524	0.3894	0.5
Brugia malayi	DNA-binding protein LAG-1	0.0089	0.0099	0.0198
Loa Loa (eye worm)	hypothetical protein	0.0204	0.1102	0.2499
Schistosoma mansoni	cell adhesion molecule	0.0106	0.0239	0.0614
Trichomonas vaginalis	dihydroorotate dehydrogenase, putative	0.0205	0.1104	1
Echinococcus granulosus	semaphorin 1A	0.0204	0.1102	0.109
Trypanosoma brucei	dihydroorotate dehydrogenase (fumarate)	0.0524	0.3894	0.5
Schistosoma mansoni	plexin	0.0285	0.1804	0.4632
Echinococcus granulosus	neuroglian	0.0103	0.0221	0.0209
Loa Loa (eye worm)	hypothetical protein	0.0204	0.1102	0.2499
Brugia malayi	hypothetical protein	0.0096	0.0156	0.0328
Brugia malayi	Furin-like cysteine rich region family protein	0.018	0.0887	0.2006
Echinococcus granulosus	semaphorin 5B	0.0204	0.1102	0.109
Loa Loa (eye worm)	hypothetical protein	0.0204	0.1102	0.2499
Schistosoma mansoni	tyrosine kinase	0.008	0.0013	0.0033
Loa Loa (eye worm)	hypothetical protein	0.0096	0.0156	0.0328
Mycobacterium ulcerans	dihydroorotate dehydrogenase 2	0.0524	0.3894	0.5
Echinococcus granulosus	twitchin	0.0103	0.0221	0.0209
Loa Loa (eye worm)	sema domain-containing protein	0.0204	0.1102	0.2499
Loa Loa (eye worm)	hypothetical protein	0.0204	0.1102	0.2499
Echinococcus multilocularis	transcription factor collier	0.0089	0.0099	0.0198
Loa Loa (eye worm)	TK/KIN16 protein kinase	0.0275	0.1721	0.3919
Onchocerca volvulus	Tyrosine kinase homolog	0.0177	0.0864	0.1161
Echinococcus multilocularis	neuroglian	0.0103	0.0221	0.0478
Schistosoma mansoni	hypothetical protein	0.0089	0.0099	0.0254
Schistosoma mansoni	Neurotrimin precursor (hNT)	0.0096	0.0156	0.04
Entamoeba histolytica	dihydropyrimidine dehydrogenase, putative	0.0205	0.1104	1
Echinococcus multilocularis	semaphorin 5B	0.0204	0.1102	0.2499
Brugia malayi	hypothetical protein	0.0204	0.1102	0.2499
Loa Loa (eye worm)	hypothetical protein	0.0089	0.0099	0.0198
Onchocerca volvulus		0.0489	0.3589	1
Echinococcus granulosus	defective proboscis extension response	0.0096	0.0156	0.0143
Echinococcus multilocularis	dihydropyrimidine dehydrogenase (NADP+)	0.0205	0.1104	0.2505
Echinococcus multilocularis	Immunoglobulin	0.0096	0.0156	0.0328
Loa Loa (eye worm)	hypothetical protein	0.0089	0.0099	0.0198
Onchocerca volvulus		0.0204	0.1102	0.1933
Plasmodium vivax	dihydroorotate dehydrogenase, mitochondrial precursor, putative	0.0524	0.3894	0.5
Trypanosoma cruzi	dihydroorotate dehydrogenase (fumarate), putative	0.0524	0.3894	1
Loa Loa (eye worm)	hypothetical protein	0.0096	0.0156	0.0328
Loa Loa (eye worm)	hypothetical protein	0.0089	0.0099	0.0198
Loa Loa (eye worm)	TK/EGFR protein kinase	0.018	0.0887	0.2006
Schistosoma mansoni	defective proboscis extension response (dpr)-related	0.0096	0.0156	0.04
Echinococcus multilocularis	basement membrane specific heparan sulfate	0.0096	0.0156	0.0328
Brugia malayi	plexin A	0.0578	0.4371	1
Schistosoma mansoni	semaphorin 5-related	0.0204	0.1102	0.283
Echinococcus multilocularis	Immunoglobulin	0.0096	0.0156	0.0328
Brugia malayi	Dihydroorotate dehydrogenase, mitochondrial precursor, putative	0.0524	0.3894	0.8907
Loa Loa (eye worm)	hypothetical protein	0.0096	0.0156	0.0328
Echinococcus granulosus	plexin a4	0.0578	0.4371	0.4364
Loa Loa (eye worm)	hypothetical protein	0.0489	0.3589	0.8205
Brugia malayi	IPT/TIG domain containing protein	0.0089	0.0099	0.0198
Loa Loa (eye worm)	hypothetical protein	0.0285	0.1804	0.411
Loa Loa (eye worm)	hypothetical protein	0.0096	0.0156	0.0328
Echinococcus multilocularis	epidermal growth factor receptor	0.018	0.0887	0.2006
Echinococcus multilocularis	exocyst complex component 2	0.0089	0.0099	0.0198
Echinococcus multilocularis	plexin a4	0.0578	0.4371	1
Echinococcus multilocularis	roundabout 2	0.0113	0.0304	0.0669
Echinococcus granulosus	epidermal growth factor receptor	0.018	0.0887	0.0875
Loa Loa (eye worm)	hypothetical protein	0.0096	0.0156	0.0328
Echinococcus granulosus	exocyst complex component 2	0.0089	0.0099	0.0086
Brugia malayi	Immunoglobulin I-set domain containing protein	0.0275	0.1721	0.3919
Trichomonas vaginalis	dihydroorotate dehydrogenase, putative	0.0205	0.1104	1
Echinococcus granulosus	Immunoglobulin	0.0096	0.0156	0.0143
Loa Loa (eye worm)	hypothetical protein	0.0204	0.1102	0.2499
Schistosoma mansoni	plexin	0.0489	0.3589	0.9215
Brugia malayi	Zinc finger, C2H2 type family protein	0.0205	0.1104	0.2505
Mycobacterium leprae	Probable dihydroorotate dehydrogenase PyrD	0.0524	0.3894	0.5
Brugia malayi	Fibronectin type III domain containing protein	0.0096	0.0156	0.0328
Schistosoma mansoni	hypothetical protein	0.0204	0.1102	0.283
Mycobacterium tuberculosis	Probable dihydroorotate dehydrogenase PyrD	0.0524	0.3894	0.5
Echinococcus granulosus	transcription factor collier	0.0089	0.0099	0.0086
Trichomonas vaginalis	dihydroorotate dehydrogenase, putative	0.0205	0.1104	1
Echinococcus granulosus	dihydropyrimidine dehydrogenase NADP	0.0205	0.1104	0.1093
Schistosoma mansoni	hypothetical protein	0.0285	0.1804	0.4632
Schistosoma mansoni	tyrosine kinase	0.008	0.0013	0.0033
Trypanosoma cruzi	dihydroorotate dehydrogenase, putative	0.0524	0.3894	1
Brugia malayi	Probable exocyst complex component Sec5	0.0089	0.0099	0.0198
Brugia malayi	hypothetical protein	0.0204	0.1102	0.2499
Plasmodium falciparum	dihydroorotate dehydrogenase	0.0524	0.3894	0.5
Brugia malayi	Sema domain containing protein	0.0204	0.1102	0.2499
Loa Loa (eye worm)	hypothetical protein	0.0106	0.0239	0.0519
Schistosoma mansoni	nephrin	0.0103	0.0221	0.0568

Activities

Activity type	Activity value	Assay description	Source	Reference
Potency (functional)	22.3872 uM	PubChem BioAssay. qHTS of TDP-43 Inhibitors. (Class of assay: confirmatory)	ChEMBL.	No reference

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: CHEMBL2354321

Bibliographic References

No literature references available for this target.

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Detailed information for compound 1758149