TDR Targets

Basic information

Technical information

Name: Unnamed compound
MW: 406.458 | Formula: C21H18N4O3S
H donors: 1 H acceptors: 4 LogP: 3.14 Rotable bonds: 6
Rule of 5 violations (Lipinski): 1
SMILES: N#Cc1cccc(c1)NC(=O)c1noc(c1)C1CCCCN1C(=O)c1cccs1
InChi: 1S/C21H18N4O3S/c22-13-14-5-3-6-15(11-14)23-20(26)16-12-18(28-24-16)17-7-1-2-9-25(17)21(27)19-8-4-10-29-19/h3-6,8,10-12,17H,1-2,7,9H2,(H,23,26)
InChiKey: YOIMTVGNNUHDPC-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 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
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)	TAR-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
Loa Loa (eye worm)	RNA 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 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
Schistosoma japonicum	TAR DNA-binding protein 43, putative	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
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
Mycobacterium tuberculosis	Fatty-acid-AMP ligase FadD30 (fatty-acid-AMP synthetase) (fatty-acid-AMP synthase)	0.0019	0.0443	0.139
Echinococcus granulosus	Nuclear hormone receptor family member nhr 41	0.0022	0.0601	0.0601
Schistosoma mansoni	tar DNA-binding protein	0.0076	0.3787	0.3787
Schistosoma mansoni	RAR-like nuclear receptor	0.0022	0.0601	0.0601
Echinococcus granulosus	nuclear receptor 2DBD gamma	0.0022	0.0601	0.0601
Mycobacterium leprae	PROBABLE FATTY-ACID-CoA LIGASE FADD2 (FATTY-ACID-CoA SYNTHETASE) (FATTY-ACID-CoA SYNTHASE)	0.0026	0.0821	0.5
Brugia malayi	Steroid receptor seven-up type 2	0.0022	0.0601	0.1301
Loa Loa (eye worm)	hypothetical protein	0.0019	0.0443	0.0991
Brugia malayi	AMP-binding enzyme family protein	0.0026	0.0821	0.1778
Schistosoma mansoni	tar DNA-binding protein	0.0076	0.3787	0.3787
Plasmodium falciparum	acyl-CoA synthetase	0.0019	0.0443	0.5
Loa Loa (eye worm)	hypothetical protein	0.0022	0.0601	0.1343
Brugia malayi	RNA binding protein	0.0076	0.3787	0.8202
Schistosoma mansoni	hypothetical protein	0.0016	0.0233	0.0233
Loa Loa (eye worm)	nuclear hormone receptor family member nhr-40	0.0022	0.0601	0.1343
Echinococcus multilocularis	tar DNA binding protein	0.0076	0.3787	0.3787
Brugia malayi	Nuclear hormone receptor-like 1	0.0022	0.0601	0.1301
Schistosoma mansoni	nuclear receptor 2DBD-gamma	0.0022	0.0601	0.0601
Echinococcus granulosus	FTZ F1 nuclear receptor protein	0.0022	0.0601	0.0601
Loa Loa (eye worm)	nuclear hormone receptor family member nhr-31	0.0022	0.0601	0.1343
Schistosoma mansoni	steroid hormone receptor ad4bp	0.0022	0.0601	0.0601
Loa Loa (eye worm)	immunoglobulin I-set domain-containing protein	0.0016	0.0233	0.0521
Loa Loa (eye worm)	hypothetical protein	0.0019	0.0443	0.0991
Echinococcus multilocularis	ecdysone induced protein 78C	0.0022	0.0601	0.0601
Mycobacterium ulcerans	fatty-acid-CoA ligase	0.0026	0.0821	1
Brugia malayi	Nuclear hormone receptor family member nhr-1	0.0022	0.0601	0.1301
Mycobacterium ulcerans	long-chain fatty-acid CoA ligase	0.0026	0.0821	1
Entamoeba histolytica	acyl-coA synthetase, putative	0.0026	0.0821	0.5
Mycobacterium ulcerans	long-chain-fatty-acid-CoA ligase	0.0026	0.0821	1
Loa Loa (eye worm)	hypothetical protein	0.0016	0.0241	0.0538
Brugia malayi	nuclear hormone receptor	0.0022	0.0601	0.1301
Echinococcus multilocularis	ankyrin repeat and death domain containing protein	0.0016	0.0233	0.0233
Entamoeba histolytica	acyl-CoA synthetase, putative	0.0026	0.0821	0.5
Onchocerca volvulus		0.0026	0.0821	0.181
Echinococcus multilocularis	hepatocyte nuclear factor 4 alpha	0.0022	0.0601	0.0601
Mycobacterium ulcerans	acyl-CoA synthetase	0.0026	0.0821	1
Brugia malayi	Nuclear hormone receptor family member nhr-49	0.0022	0.0601	0.1301
Chlamydia trachomatis	acylglycerophosphoethanolamine acyltransferase	0.0019	0.0443	0.5
Loa Loa (eye worm)	TAR-binding protein	0.0076	0.3787	0.8468
Brugia malayi	TAR-binding protein	0.0076	0.3787	0.8202
Brugia malayi	Nuclear hormone receptor family member nhr-31	0.0022	0.0601	0.1301
Brugia malayi	Nuclear hormone receptor family member nhr-14	0.0022	0.0601	0.1301
Schistosoma mansoni	retinoid-x-receptor (RXR)	0.0022	0.0601	0.0601
Schistosoma mansoni	FTZ-F1 nuclear receptor-like protein	0.0022	0.0601	0.0601
Onchocerca volvulus	Bile acid receptor homolog	0.0022	0.0601	0.1132
Echinococcus granulosus	death domain containing protein	0.0016	0.0233	0.0233
Loa Loa (eye worm)	hypothetical protein	0.0026	0.0821	0.1835
Brugia malayi	RNA recognition motif domain containing protein	0.0076	0.3787	0.8202
Brugia malayi	photoreceptor-specific nuclear receptor	0.0022	0.0601	0.1301
Brugia malayi	Nuclear hormone receptor family member nhr-19	0.0022	0.0601	0.1301
Leishmania major	4-coumarate:coa ligase-like protein	0.0026	0.0821	0.5
Loa Loa (eye worm)	hypothetical protein	0.0022	0.0601	0.1343
Echinococcus granulosus	retinoic acid receptor rxr beta a	0.0022	0.0601	0.0601
Echinococcus multilocularis	FTZ F1 alpha	0.0022	0.0601	0.0601
Echinococcus multilocularis	FTZ F1 nuclear receptor protein	0.0022	0.0601	0.0601
Schistosoma mansoni	hypothetical protein	0.0183	1	1
Brugia malayi	Nuclear hormone receptor family member nhr-25	0.0022	0.0601	0.1301
Schistosoma mansoni	retinoic acid receptor RXR	0.0022	0.0601	0.0601
Echinococcus granulosus	jun protein	0.0091	0.4617	0.4617
Echinococcus granulosus	netrin receptor unc 5	0.0016	0.0233	0.0233
Loa Loa (eye worm)	nuclear hormone receptor family member nhr-1	0.0022	0.0601	0.1343
Schistosoma mansoni	netrin receptor unc5	0.0016	0.0233	0.0233
Echinococcus multilocularis	nuclear factor of activated T cells 5	0.008	0.3966	0.3966
Leishmania major	4-coumarate:coa ligase-like protein	0.0026	0.0821	0.5
Brugia malayi	ecdysteroid receptor	0.0022	0.0601	0.1301
Echinococcus multilocularis	nuclear receptor 2DBD gamma	0.0022	0.0601	0.0601
Loa Loa (eye worm)	steroid hormone receptor	0.0022	0.0601	0.1343
Echinococcus granulosus	Ankyrin	0.0016	0.0241	0.0241
Brugia malayi	Uncoordinated protein 44	0.0016	0.0233	0.0505
Echinococcus granulosus	ankyrin repeat and death domain containing protein	0.0016	0.0233	0.0233
Brugia malayi	bZIP transcription factor family protein	0.0091	0.4617	1
Brugia malayi	Protein kinase domain containing protein	0.0016	0.0233	0.0505
Schistosoma mansoni	retinoblastoma-binding protein 4 (rbbp4)	0.0016	0.0241	0.0241
Schistosoma mansoni	jun-related protein	0.0074	0.3626	0.3626
Schistosoma mansoni	tar DNA-binding protein	0.0076	0.3787	0.3787
Echinococcus multilocularis	thyroid hormone receptor alpha	0.0022	0.0601	0.0601
Echinococcus multilocularis	COUP TF:Svp nuclear hormone receptor	0.0022	0.0601	0.0601
Mycobacterium ulcerans	long-chain-fatty-acid--CoA ligase	0.0026	0.0821	1
Schistosoma mansoni	thyroid hormone receptor	0.0022	0.0601	0.0601
Echinococcus granulosus	nuclear receptor 2DBD gamma	0.0022	0.0601	0.0601
Loa Loa (eye worm)	hypothetical protein	0.0022	0.0601	0.1343
Echinococcus multilocularis	Ankyrin	0.0016	0.0241	0.0241
Loa Loa (eye worm)	hypothetical protein	0.0019	0.0443	0.0991
Echinococcus multilocularis	geminin	0.0183	1	1
Echinococcus granulosus	hepatocyte nuclear factor 4 alpha	0.0022	0.0601	0.0601
Echinococcus granulosus	tar DNA binding protein	0.0076	0.3787	0.3787
Brugia malayi	Nuclear hormone receptor family member nhr-25	0.0022	0.0601	0.1301
Brugia malayi	nuclear receptor NHR-88	0.0022	0.0601	0.1301
Schistosoma mansoni	Tr4/Tr2 (homologue)	0.0022	0.0601	0.0601
Brugia malayi	Ligand-binding domain of nuclear hormone receptor family protein	0.0022	0.0601	0.1301
Brugia malayi	Nuclear hormone receptor family member nhr-3	0.0022	0.0601	0.1301
Echinococcus multilocularis	netrin receptor unc 5	0.0016	0.0233	0.0233
Brugia malayi	Immunoglobulin I-set domain containing protein	0.0016	0.0233	0.0505
Echinococcus granulosus	COUP TF:Svp nuclear hormone receptor	0.0022	0.0601	0.0601
Loa Loa (eye worm)	hypothetical protein	0.0019	0.0443	0.0991
Schistosoma mansoni	tar DNA-binding protein	0.0076	0.3787	0.3787
Echinococcus granulosus	FTZ F1 alpha	0.0022	0.0601	0.0601
Loa Loa (eye worm)	hypothetical protein	0.0022	0.0601	0.1343
Schistosoma mansoni	nuclear hormone receptor	0.0022	0.0601	0.0601
Echinococcus granulosus	Basic leucine zipper bZIP transcription factor	0.0091	0.4617	0.4617
Mycobacterium tuberculosis	Probable chain -fatty-acid-CoA ligase FadD13 (fatty-acyl-CoA synthetase)	0.0026	0.0821	1
Brugia malayi	Nuclear hormone receptor family member nhr-40	0.0022	0.0601	0.1301
Loa Loa (eye worm)	RNA binding protein	0.0076	0.3787	0.8468
Onchocerca volvulus		0.0071	0.3481	1
Schistosoma mansoni	nuclear hormone receptor nor-1/nor-2	0.0022	0.0601	0.0601
Mycobacterium tuberculosis	Probable fatty-acid-CoA ligase FadD2 (fatty-acid-CoA synthetase) (fatty-acid-CoA synthase)	0.0026	0.0821	1
Entamoeba histolytica	acyl-CoA synthetase, putative	0.0026	0.0821	0.5
Loa Loa (eye worm)	hypothetical protein	0.0022	0.0601	0.1343
Brugia malayi	AMP-binding enzyme family protein	0.0026	0.0821	0.1778
Loa Loa (eye worm)	nuclear hormone receptor family member nhr-14	0.0022	0.0601	0.1343
Echinococcus multilocularis	Nuclear hormone receptor family member nhr 41	0.0022	0.0601	0.0601
Loa Loa (eye worm)	hypothetical protein	0.0026	0.0821	0.1835
Echinococcus granulosus	ecdysone induced protein 78C	0.0022	0.0601	0.0601
Loa Loa (eye worm)	hypothetical protein	0.0016	0.0233	0.0521
Echinococcus multilocularis	nuclear receptor 2DBD gamma	0.0022	0.0601	0.0601
Loa Loa (eye worm)	hypothetical protein	0.0019	0.0443	0.0991
Brugia malayi	Death domain containing protein	0.0016	0.0233	0.0505
Loa Loa (eye worm)	hypothetical protein	0.0022	0.0601	0.1343
Loa Loa (eye worm)	hypothetical protein	0.0088	0.4472	1
Schistosoma mansoni	hypothetical protein	0.0183	1	1
Plasmodium vivax	acyl-CoA synthetase, putative	0.0019	0.0443	0.5
Schistosoma mansoni	coup transcription factor	0.0022	0.0601	0.0601
Echinococcus multilocularis	jun protein	0.0091	0.4617	0.4617
Schistosoma mansoni	tar DNA-binding protein	0.0076	0.3787	0.3787
Onchocerca volvulus	Protein ultraspiracle homolog	0.0022	0.0601	0.1132
Brugia malayi	AMP-binding enzyme family protein	0.0026	0.0821	0.1778
Loa Loa (eye worm)	hypothetical protein	0.0026	0.0821	0.1835
Schistosoma mansoni	hypothetical protein	0.0074	0.3626	0.3626
Brugia malayi	Nuclear hormone receptor family member nhr-19	0.0022	0.0601	0.1301
Schistosoma mansoni	thyroid hormone receptor	0.0022	0.0601	0.0601
Loa Loa (eye worm)	nuclear Hormone Receptor family member	0.0022	0.0601	0.1343
Mycobacterium ulcerans	acyl-CoA synthetase	0.0026	0.0821	1
Echinococcus granulosus	nuclear factor of activated T cells 5	0.008	0.3966	0.3966
Loa Loa (eye worm)	nuclear hormone receptor family member nhr-41	0.0022	0.0601	0.1343
Mycobacterium ulcerans	hypothetical protein	0.0026	0.0821	1
Loa Loa (eye worm)	nuclear hormone receptor family member nhr-49	0.0022	0.0601	0.1343
Loa Loa (eye worm)	hypothetical protein	0.0022	0.0601	0.1343
Onchocerca volvulus		0.0022	0.0601	0.1132
Mycobacterium ulcerans	acyl-CoA synthetase	0.0026	0.0821	1
Echinococcus multilocularis	Basic leucine zipper (bZIP) transcription factor	0.0091	0.4617	0.4617
Loa Loa (eye worm)	RNA recognition domain-containing protein domain-containing protein	0.0076	0.3787	0.8468
Schistosoma mansoni	ankyrin 23/unc44	0.0016	0.0233	0.0233
Loa Loa (eye worm)	hypothetical protein	0.0022	0.0601	0.1343
Brugia malayi	steroid hormone receptor	0.0022	0.0601	0.1301
Brugia malayi	hypothetical protein	0.0071	0.3481	0.754
Schistosoma mansoni	photoreceptor-specific nuclear receptor related	0.0022	0.0601	0.0601
Leishmania major	4-coumarate:coa ligase-like protein	0.0026	0.0821	0.5
Brugia malayi	Ligand-binding domain of nuclear hormone receptor family protein	0.0022	0.0601	0.1301
Onchocerca volvulus	Steroid hormone receptor family member cnr14 homolog	0.0022	0.0601	0.1132
Brugia malayi	Nuclear hormone receptor family member nhr-41	0.0022	0.0601	0.1301
Mycobacterium leprae	PROBABLE FATTY-ACID-CoA LIGASE FADD7 (FATTY-ACID-CoA SYNTHETASE) (FATTY-ACID-CoA SYNTHASE)	0.0026	0.0821	0.5

Activities

Activity type	Activity value	Assay description	Source	Reference
Potency (functional)	3.5481 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: CHEMBL2360007

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 1750395