TDR Targets

Basic information

Technical information

Name: Unnamed compound
MW: 453.489 | Formula: C27H23N3O4
H donors: 1 H acceptors: 2 LogP: 3.93 Rotable bonds: 6
Rule of 5 violations (Lipinski): 1
SMILES: O=C(C(n1c2ccccc2nc(c1=O)c1ccccc1)C1CC1)Nc1ccc2c(c1)OCCO2
InChi: 1S/C27H23N3O4/c31-26(28-19-12-13-22-23(16-19)34-15-14-33-22)25(18-10-11-18)30-21-9-5-4-8-20(21)29-24(27(30)32)17-6-2-1-3-7-17/h1-9,12-13,16,18,25H,10-11,14-15H2,(H,28,31)
InChiKey: AUHIAMOOBXDHFQ-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

Species	Target name	Source	Bibliographic reference
Homo sapiens	TAR DNA binding protein	Starlite/ChEMBL	No references

Predicted pathogen targets for this compound

By orthology

Species	Potential target	Known druggable target/s	Ortholog Group
Brugia malayi	RNA recognition motif domain containing protein	Get druggable targets OG5_132461	All targets in OG5_132461
Schistosoma mansoni	tar DNA-binding protein	Get druggable targets OG5_132461	All targets in OG5_132461
Schistosoma japonicum	TAR DNA-binding protein 43, putative	Get druggable targets OG5_132461	All targets in OG5_132461
Schistosoma mansoni	tar DNA-binding protein	Get druggable targets OG5_132461	All targets in OG5_132461
Schistosoma mansoni	tar DNA-binding protein	Get druggable targets OG5_132461	All targets in OG5_132461
Brugia malayi	TAR-binding protein	Get druggable targets OG5_132461	All targets in OG5_132461
Loa Loa (eye worm)	RNA binding protein	Get druggable targets OG5_132461	All targets in OG5_132461
Loa Loa (eye worm)	RNA recognition domain-containing protein domain-containing protein	Get druggable targets OG5_132461	All targets in OG5_132461
Echinococcus multilocularis	tar DNA binding protein	Get druggable targets OG5_132461	All targets in OG5_132461
Brugia malayi	RNA binding protein	Get druggable targets OG5_132461	All targets in OG5_132461
Loa Loa (eye worm)	TAR-binding protein	Get druggable targets OG5_132461	All targets in OG5_132461
Schistosoma mansoni	tar DNA-binding protein	Get druggable targets OG5_132461	All targets in OG5_132461
Schistosoma japonicum	TAR DNA-binding protein 43, putative	Get druggable targets OG5_132461	All targets in OG5_132461
Schistosoma mansoni	tar DNA-binding protein	Get druggable targets OG5_132461	All targets in OG5_132461
Echinococcus granulosus	tar DNA binding protein	Get druggable targets OG5_132461	All targets in OG5_132461

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
Onchocerca volvulus	Peroxidasin homolog	0.0038	0.1846	0.5
Schistosoma mansoni	cathepsin B-like peptidase (C01 family)	0.0144	0.8304	0.8304
Loa Loa (eye worm)	animal heme peroxidase	0.0038	0.1846	0.2108
Echinococcus multilocularis	guanine nucleotide binding protein G(s) subunit	0.0046	0.2331	0.2331
Brugia malayi	Blistered cuticle protein 3	0.0038	0.1846	0.2108
Schistosoma mansoni	SmCB2 peptidase (C01 family)	0.0144	0.8304	0.8304
Schistosoma mansoni	cathepsin B-like peptidase (C01 family)	0.0048	0.2403	0.2403
Schistosoma mansoni	cathepsin B-like peptidase (C01 family)	0.0144	0.8304	0.8304
Brugia malayi	RNA recognition motif domain containing protein	0.0076	0.4176	0.477
Loa Loa (eye worm)	RNA binding protein	0.0076	0.4176	0.477
Schistosoma mansoni	tar DNA-binding protein	0.0076	0.4176	0.4176
Schistosoma mansoni	tar DNA-binding protein	0.0076	0.4176	0.4176
Echinococcus granulosus	peroxidasin	0.0038	0.1846	0.1846
Schistosoma mansoni	hypothetical protein	0.0172	1	1
Echinococcus multilocularis	peroxidasin	0.0038	0.1846	0.1846
Loa Loa (eye worm)	hypothetical protein	0.0038	0.1846	0.2108
Echinococcus multilocularis	tar DNA binding protein	0.0076	0.4176	0.4176
Schistosoma mansoni	Guanine nucleotide-binding protein G(s) subunit alpha (Adenylate cyclase-stimulating G alpha protein)	0.0046	0.2331	0.2331
Brugia malayi	MH2 domain containing protein	0.0121	0.6896	0.7876
Echinococcus multilocularis	muscleblind protein	0.0151	0.8756	0.8756
Loa Loa (eye worm)	hypothetical protein	0.0038	0.1846	0.2108
Trypanosoma brucei	cysteine peptidase C (CPC)	0.0048	0.2403	0.5
Loa Loa (eye worm)	animal heme peroxidase	0.0038	0.1846	0.2108
Echinococcus granulosus	tar DNA binding protein	0.0076	0.4176	0.4176
Loa Loa (eye worm)	transcription factor SMAD2	0.0121	0.6896	0.7876
Onchocerca volvulus	Chorion peroxidase homolog	0.0038	0.1846	0.5
Echinococcus granulosus	muscleblind protein	0.0151	0.8756	0.8756
Echinococcus multilocularis	geminin	0.0172	1	1
Brugia malayi	hypothetical protein	0.0038	0.1846	0.2108
Loa Loa (eye worm)	hypothetical protein	0.0038	0.1846	0.2108
Schistosoma mansoni	hypothetical protein	0.0172	1	1
Onchocerca volvulus	Peroxidase homolog	0.0038	0.1846	0.5
Brugia malayi	cathepsin B-like cysteine proteinase	0.0144	0.8304	0.9484
Brugia malayi	Muscleblind-like protein	0.0151	0.8756	1
Loa Loa (eye worm)	hypothetical protein	0.0038	0.1846	0.2108
Loa Loa (eye worm)	blistered cuticle protein 3	0.0038	0.1846	0.2108
Giardia lamblia	Cathepsin B precursor	0.0048	0.2403	0.5
Loa Loa (eye worm)	cathepsin B	0.0048	0.2403	0.2744
Loa Loa (eye worm)	hypothetical protein	0.0038	0.1846	0.2108
Loa Loa (eye worm)	hypothetical protein	0.0038	0.1846	0.2108
Loa Loa (eye worm)	hypothetical protein	0.0038	0.1846	0.2108
Giardia lamblia	Cathepsin B precursor	0.0048	0.2403	0.5
Leishmania major	cysteine peptidase C (CPC),CPC cysteine peptidase, Clan CA, family C1, Cathepsin B-like	0.0048	0.2403	0.5
Loa Loa (eye worm)	hypothetical protein	0.0038	0.1846	0.2108
Echinococcus multilocularis	cathepsin b	0.0144	0.8304	0.8304
Loa Loa (eye worm)	hypothetical protein	0.0038	0.1846	0.2108
Loa Loa (eye worm)	GTP-binding regulatory protein Gs alpha-S chain	0.0046	0.2331	0.2663
Toxoplasma gondii	cathepsin B	0.0048	0.2403	0.5
Echinococcus multilocularis	muscleblind protein 1	0.0151	0.8756	0.8756
Loa Loa (eye worm)	hypothetical protein	0.0038	0.1846	0.2108
Loa Loa (eye worm)	TAR-binding protein	0.0076	0.4176	0.477
Loa Loa (eye worm)	animal heme peroxidase	0.0038	0.1846	0.2108
Onchocerca volvulus	Peroxidasin homolog	0.0038	0.1846	0.5
Echinococcus granulosus	cathepsin b	0.0144	0.8304	0.8304
Schistosoma mansoni	tar DNA-binding protein	0.0076	0.4176	0.4176
Loa Loa (eye worm)	animal heme peroxidase	0.0038	0.1846	0.2108
Echinococcus granulosus	guanine nucleotide binding protein Gs subunit	0.0046	0.2331	0.2331
Echinococcus multilocularis	guanine nucleotide binding protein G(s) subunit	0.0046	0.2331	0.2331
Echinococcus granulosus	guanine nucleotide binding protein Gs subunit	0.0046	0.2331	0.2331
Onchocerca volvulus		0.0038	0.1846	0.5
Schistosoma mansoni	Guanine nucleotide-binding protein G(s) subunit alpha (Adenylate cyclase-stimulating G alpha protein)	0.0046	0.2331	0.2331
Brugia malayi	RNA binding protein	0.0076	0.4176	0.477
Onchocerca volvulus		0.0038	0.1846	0.5
Brugia malayi	Animal haem peroxidase family protein	0.0038	0.1846	0.2108
Loa Loa (eye worm)	RNA recognition domain-containing protein domain-containing protein	0.0076	0.4176	0.477
Echinococcus multilocularis	cathepsin b	0.0144	0.8304	0.8304
Brugia malayi	Animal haem peroxidase family protein	0.0038	0.1846	0.2108
Loa Loa (eye worm)	hypothetical protein	0.0038	0.1846	0.2108
Loa Loa (eye worm)	hypothetical protein	0.0151	0.8756	1
Loa Loa (eye worm)	hypothetical protein	0.0144	0.8304	0.9484
Brugia malayi	Peroxidasin	0.0038	0.1846	0.2108
Brugia malayi	Animal haem peroxidase family protein	0.0038	0.1846	0.2108
Loa Loa (eye worm)	hypothetical protein	0.0151	0.8756	1
Brugia malayi	Animal haem peroxidase family protein	0.0038	0.1846	0.2108
Giardia lamblia	Cathepsin B precursor	0.0048	0.2403	0.5
Schistosoma mansoni	peroxidasin	0.0038	0.1846	0.1846
Schistosoma mansoni	peroxidasin	0.0038	0.1846	0.1846
Brugia malayi	TAR-binding protein	0.0076	0.4176	0.477
Loa Loa (eye worm)	MH2 domain-containing protein	0.0121	0.6896	0.7876
Brugia malayi	Animal haem peroxidase family protein	0.0038	0.1846	0.2108
Schistosoma mansoni	tar DNA-binding protein	0.0076	0.4176	0.4176
Schistosoma mansoni	tar DNA-binding protein	0.0076	0.4176	0.4176
Schistosoma mansoni	cathepsin B-like peptidase (C01 family)	0.0144	0.8304	0.8304
Loa Loa (eye worm)	hypothetical protein	0.0038	0.1846	0.2108
Onchocerca volvulus		0.0038	0.1846	0.5
Brugia malayi	GTP-binding regulatory protein Gs alpha-S chain, putative	0.0046	0.2331	0.2663
Onchocerca volvulus	Peroxidase homolog	0.0038	0.1846	0.5
Loa Loa (eye worm)	hypothetical protein	0.0038	0.1846	0.2108
Echinococcus granulosus	cathepsin b	0.0144	0.8304	0.8304
Schistosoma mansoni	Guanine nucleotide-binding protein G(s) subunit alpha (Adenylate cyclase-stimulating G alpha protein)	0.0046	0.2331	0.2331
Loa Loa (eye worm)	hypothetical protein	0.0038	0.1846	0.2108
Onchocerca volvulus	Dual oxidase homolog	0.0038	0.1846	0.5
Trichomonas vaginalis	Clan CA, family C1, cathepsin B-like cysteine peptidase	0.0048	0.2403	0.5
Trypanosoma cruzi	cysteine peptidase C (CPC), putative	0.0144	0.8304	1

Activities

Activity type	Activity value	Assay description	Source	Reference
Potency (functional)	15.8489 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: CHEMBL2356147

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 1753407