TDR Targets

Basic information

Technical information

Name: Unnamed compound
MW: 442.309 | Formula: C20H20BrN5O2
H donors: 0 H acceptors: 4 LogP: 2.72 Rotable bonds: 4
Rule of 5 violations (Lipinski): 1
SMILES: Brc1ccc(cc1)c1noc2c1C(=O)N(CC2)Cc1nnn(c1)C1CCCC1
InChi: 1S/C20H20BrN5O2/c21-14-7-5-13(6-8-14)19-18-17(28-23-19)9-10-25(20(18)27)11-15-12-26(24-22-15)16-3-1-2-4-16/h5-8,12,16H,1-4,9-11H2
InChiKey: DRZFMYDEVZJFKF-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
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
Loa Loa (eye worm)	RNA recognition domain-containing protein domain-containing 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
Loa Loa (eye worm)	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
Brugia malayi	RNA binding 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 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
Brugia malayi	TAR-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

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
Leishmania major	histone deacetylase, putative	0.082	1	1
Mycobacterium tuberculosis	Probable dehydrogenase	0.0115	0.0837	0.8342
Plasmodium falciparum	histone deacetylase, putative	0.0348	0.3864	0.3864
Echinococcus multilocularis	histone deacetylase 8	0.0261	0.2733	0.2733
Trypanosoma brucei	histone deacetylase 4	0.0348	0.3864	0.3864
Brugia malayi	histone deacetylase 11	0.0261	0.2733	0.2733
Echinococcus granulosus	histone deacetylase 6	0.0367	0.4112	0.4112
Mycobacterium tuberculosis	Probable oxidoreductase	0.0127	0.1003	1
Schistosoma mansoni	histone deacetylase hda2	0.0261	0.2733	0.2477
Leishmania major	histone deacetylase, putative	0.082	1	1
Entamoeba histolytica	histone deacetylase, putative	0.082	1	0.5
Mycobacterium tuberculosis	Probable nitrite reductase [NAD(P)H] large subunit [FAD flavoprotein] NirB	0.0115	0.0837	0.8342
Toxoplasma gondii	histone deacetylase HDAC2	0.082	1	1
Brugia malayi	RNA binding protein	0.0076	0.0341	0.0341
Loa Loa (eye worm)	RNA binding protein	0.0076	0.0341	0.0341
Plasmodium vivax	histone deacetylase, putative	0.0348	0.3864	0.3864
Echinococcus multilocularis	histone deacetylase 6	0.0367	0.4112	0.4112
Trichomonas vaginalis	histone deacetylase 1, 2 ,3, putative	0.082	1	0.5
Mycobacterium tuberculosis	Probable NADH dehydrogenase Ndh	0.0115	0.0837	0.8342
Toxoplasma gondii	histone deacetylase HDAC3	0.082	1	1
Trypanosoma cruzi	histone deacetylase, putative	0.0261	0.2733	0.2733
Trypanosoma brucei	histone deacetylase 2	0.0261	0.2733	0.2733
Leishmania major	histone deacetylase, putative	0.0348	0.3864	0.3864
Echinococcus multilocularis	histone deacetylase 6	0.0348	0.3864	0.3864
Brugia malayi	TAR-binding protein	0.0076	0.0341	0.0341
Trypanosoma cruzi	histone deacetylase, putative	0.0348	0.3864	0.3864
Onchocerca volvulus	Histone deacetylase 10 homolog	0.0261	0.2733	0.5
Plasmodium vivax	histone deacetylase 2, putative	0.0348	0.3864	0.3864
Giardia lamblia	Histone deacetylase	0.082	1	0.5
Echinococcus multilocularis	histone deacetylase 3	0.082	1	1
Schistosoma mansoni	histone deacetylase 1 2 3	0.0261	0.2733	0.2477
Trichomonas vaginalis	histone deacetylase, putative	0.082	1	0.5
Trypanosoma brucei	histone deacetylase, putative	0.0348	0.3864	0.3864
Schistosoma mansoni	histone deacetylase 4 5	0.0348	0.3864	0.3648
Echinococcus granulosus	histone deacetylase 7	0.0348	0.3864	0.3864
Schistosoma mansoni	histone deacetylase	0.082	1	1
Toxoplasma gondii	histone deacetylase HDAC1	0.0348	0.3864	0.3864
Loa Loa (eye worm)	histone deacetylase 11	0.0261	0.2733	0.2733
Mycobacterium tuberculosis	Probable membrane NADH dehydrogenase NdhA	0.0115	0.0837	0.8342
Echinococcus granulosus	histone deacetylase 6	0.0348	0.3864	0.3864
Echinococcus multilocularis	histone deacetylase 1	0.082	1	1
Echinococcus multilocularis	histone deacetylase 6	0.0348	0.3864	0.3864
Trichomonas vaginalis	histone deacetylase 1, 2 ,3, putative	0.082	1	0.5
Mycobacterium leprae	DIHYDROLIPOAMIDE DEHYDROGENASE LPD (LIPOAMIDE REDUCTASE (NADH)) (LIPOYL DEHYDROGENASE) (DIHYDROLIPOYL DEHYDROGENASE) (DIAPHORASE	0.0127	0.1003	1
Trypanosoma brucei	histone deacetylase 1	0.082	1	1
Trichomonas vaginalis	histone deacetylase, putative	0.082	1	0.5
Echinococcus granulosus	tar DNA binding protein	0.0076	0.0341	0.0341
Toxoplasma gondii	histone deacetylase HDAC5	0.0261	0.2733	0.2733
Echinococcus multilocularis	histone deacetylase 7	0.0348	0.3864	0.3864
Mycobacterium tuberculosis	Dihydrolipoamide dehydrogenase LpdC (lipoamide reductase (NADH)) (lipoyl dehydrogenase) (dihydrolipoyl dehydrogenase) (diaphoras	0.0127	0.1003	1
Trypanosoma brucei	histone deacetylase 3	0.0348	0.3864	0.3864
Loa Loa (eye worm)	hypothetical protein	0.082	1	1
Brugia malayi	histone deacetylase 1 (HD1)	0.082	1	1
Mycobacterium tuberculosis	Putative ferredoxin reductase	0.0115	0.0837	0.8342
Schistosoma mansoni	histone deacetylase	0.082	1	1
Loa Loa (eye worm)	TAR-binding protein	0.0076	0.0341	0.0341
Brugia malayi	Histone deacetylase family protein	0.0348	0.3864	0.3864
Echinococcus granulosus	histone deacetylase 1	0.082	1	1
Trichomonas vaginalis	histone deacetylase, putative	0.082	1	0.5
Loa Loa (eye worm)	histone deacetylase 1	0.082	1	1
Brugia malayi	RNA recognition motif domain containing protein	0.0076	0.0341	0.0341
Trypanosoma cruzi	histone deacetylase, putative	0.0348	0.3864	0.3864
Mycobacterium tuberculosis	Probable reductase	0.0115	0.0837	0.8342
Schistosoma mansoni	histone deacetylase hda2	0.0367	0.4112	0.3904
Trypanosoma cruzi	histone deacetylase, putative	0.0348	0.3864	0.3864
Plasmodium vivax	histone deacetylase, putative	0.0261	0.2733	0.2733
Leishmania major	histone deacetylase, putative	0.0348	0.3864	0.3864
Trypanosoma cruzi	histone deacetylase 1, putative	0.082	1	1
Plasmodium falciparum	histone deacetylase 2	0.0348	0.3864	0.3864
Brugia malayi	Histone deacetylase 1	0.082	1	1
Loa Loa (eye worm)	hypothetical protein	0.0261	0.2733	0.2733
Trichomonas vaginalis	histone deacetylase, putative	0.082	1	0.5
Toxoplasma gondii	histone deacetylase HDAC4	0.0261	0.2733	0.2733
Plasmodium vivax	histone deacetylase 1, putative	0.082	1	1
Trichomonas vaginalis	histone deacetylase 1, 2 ,3, putative	0.082	1	0.5
Brugia malayi	Histone deacetylase family protein	0.0348	0.3864	0.3864
Echinococcus granulosus	histone deacetylase 3	0.082	1	1
Trypanosoma cruzi	histone deacetylase 1, putative	0.082	1	1
Echinococcus granulosus	histone deacetylase	0.0348	0.3864	0.3864
Loa Loa (eye worm)	histone deacetylase	0.0348	0.3864	0.3864
Loa Loa (eye worm)	RNA recognition domain-containing protein domain-containing protein	0.0076	0.0341	0.0341
Trichomonas vaginalis	histone deacetylase, putative	0.082	1	0.5
Loa Loa (eye worm)	hypothetical protein	0.0087	0.0478	0.0478
Echinococcus multilocularis	histone deacetylase	0.0348	0.3864	0.3864
Trypanosoma cruzi	histone deacetylase, putative	0.0261	0.2733	0.2733
Schistosoma mansoni	histone deacetylase 4 5	0.0348	0.3864	0.3648
Echinococcus granulosus	histone deacetylase 8	0.0261	0.2733	0.2733
Loa Loa (eye worm)	hypothetical protein	0.0106	0.0726	0.0726
Loa Loa (eye worm)	histone deacetylase 3	0.082	1	1
Plasmodium falciparum	histone deacetylase 1	0.082	1	1
Echinococcus granulosus	histone deacetylase 6	0.0348	0.3864	0.3864
Echinococcus multilocularis	tar DNA binding protein	0.0076	0.0341	0.0341
Trichomonas vaginalis	histone deacetylase, putative	0.082	1	0.5
Loa Loa (eye worm)	histone deacetylase 7A	0.0348	0.3864	0.3864
Mycobacterium tuberculosis	NAD(P)H quinone reductase LpdA	0.0127	0.1003	1

Activities

Activity type	Activity value	Assay description	Source	Reference
Potency (functional)	11.2202 uM	PubChem BioAssay. qHTS of TDP-43 Inhibitors. (Class of assay: confirmatory)	ChEMBL.	No reference
Potency (functional)	50.1187 uM	PubChem BioAssay. qHTS of PTHR Inhibitors: Primary Screen. (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: CHEMBL2362193

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 1750232