TDR Targets

Basic information

Technical information

Name: Unnamed compound
MW: 323.795 | Formula: C15H14ClNO3S
H donors: 1 H acceptors: 2 LogP: 3.22 Rotable bonds: 1
Rule of 5 violations (Lipinski): 1
SMILES: C[C@@H]1NS(=O)(=O)c2c(O[C@@H]1c1ccccc1)ccc(c2)Cl
InChi: 1S/C15H14ClNO3S/c1-10-15(11-5-3-2-4-6-11)20-13-8-7-12(16)9-14(13)21(18,19)17-10/h2-10,15,17H,1H3/t10-,15-/m0/s1
InChiKey: AZSTVLMEUGAUHT-BONVTDFDSA-N

Network

Hover on a compound node to display the structore

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

This is a work in progress. Come back soon to try this features!

Clustering layers

This is a work in progress. Come back soon to try this features!

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
Loa Loa (eye worm)	TAR-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
Brugia malayi	RNA recognition motif 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
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 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
Brugia malayi	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
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
Schistosoma mansoni	tar DNA-binding protein	0.0076	0.2239	0.357
Plasmodium falciparum	M17 leucyl aminopeptidase	0.0107	0.3689	1
Echinococcus granulosus	Transcription factor JmjC domain containing protein	0.0201	0.8134	1
Mycobacterium ulcerans	mannose-6-phosphate isomerase ManA	0.0099	0.3291	0.8149
Echinococcus multilocularis	tar DNA binding protein	0.0076	0.2239	0.2706
Loa Loa (eye worm)	3-hydroxyacyl-CoA dehydrogenase type II	0.0054	0.1189	0.1327
Loa Loa (eye worm)	mannose-6-phosphate isomerase	0.0099	0.3291	0.378
Loa Loa (eye worm)	RNA binding protein	0.0076	0.2239	0.2553
Plasmodium vivax	hypothetical protein, conserved	0.0061	0.1524	0.4045
Echinococcus multilocularis	aldehyde dehydrogenase, mitochondrial	0.0062	0.1536	0.1835
Schistosoma mansoni	jumonji/arid domain-containing protein	0.0074	0.2135	0.3399
Echinococcus granulosus	guanine nucleotide binding protein Gs subunit	0.0055	0.1233	0.1516
Schistosoma mansoni	tar DNA-binding protein	0.0076	0.2239	0.357
Schistosoma mansoni	bromodomain-containing nuclear protein 1 brd1	0.0061	0.1524	0.2401
Toxoplasma gondii	leucyl aminopeptidase LAP	0.0107	0.3689	1
Brugia malayi	RNA binding protein	0.0076	0.2239	0.2553
Trichomonas vaginalis	CAMK family protein kinase	0.0096	0.3157	0.2509
Echinococcus multilocularis	lipoxygenase domain containing protein	0.004	0.0513	0.057
Onchocerca volvulus		0.004	0.0513	0.0463
Brugia malayi	3-hydroxyacyl-CoA dehydrogenase type II	0.0062	0.156	0.176
Entamoeba histolytica	phosphomannose isomerase, putative	0.0099	0.3291	1
Trichomonas vaginalis	CAMK family protein kinase	0.0096	0.3157	0.2509
Trichomonas vaginalis	mannose-6-phosphate isomerase, putative	0.0099	0.3291	0.2655
Brugia malayi	TAR-binding protein	0.0076	0.2239	0.2553
Schistosoma mansoni	rab6-interacting	0.004	0.0513	0.0752
Loa Loa (eye worm)	hypothetical protein	0.0037	0.0377	0.0379
Echinococcus granulosus	guanine nucleotide binding protein Gs subunit	0.0055	0.1233	0.1516
Brugia malayi	mannose-6-phosphate isomerase, class I family protein	0.0099	0.3291	0.378
Schistosoma mansoni	Guanine nucleotide-binding protein G(s) subunit alpha (Adenylate cyclase-stimulating G alpha protein)	0.0055	0.1233	0.1927
Leishmania major	protein kinase, putative,polo-like protein kinase, putative	0.0096	0.3157	0.2011
Loa Loa (eye worm)	jmjC domain-containing protein	0.0074	0.2135	0.2431
Schistosoma mansoni	lipoxygenase	0.0112	0.3924	0.6319
Brugia malayi	GTP-binding regulatory protein Gs alpha-S chain, putative	0.0055	0.1233	0.1378
Trypanosoma cruzi	hypothetical protein, conserved	0.0232	0.9597	1
Mycobacterium tuberculosis	Probable aminopeptidase PepB	0.0107	0.3689	1
Toxoplasma gondii	PHD-finger domain-containing protein	0.0061	0.1524	0.4045
Brugia malayi	hypothetical protein	0.004	0.0513	0.0537
Trichomonas vaginalis	CAMK family protein kinase	0.0096	0.3157	0.2509
Schistosoma mansoni	kinase	0.0049	0.0925	0.1424
Echinococcus granulosus	aldehyde dehydrogenase mitochondrial	0.0062	0.1536	0.1888
Echinococcus multilocularis	serine:threonine protein kinase PLK1	0.0096	0.3157	0.3842
Echinococcus granulosus	lipoxygenase domain containing protein	0.004	0.0513	0.0631
Brugia malayi	jmjC domain containing protein	0.0201	0.8134	0.9434
Echinococcus multilocularis	arachidonate 5 lipoxygenase	0.0112	0.3924	0.479
Trypanosoma cruzi	phosphomannose isomerase, putative	0.0099	0.3291	0.0207
Mycobacterium ulcerans	short-chain type dehydrogenase/reductase	0.0062	0.156	0.0113
Leishmania major	3-oxoacyl-(acyl-carrier protein) reductase, putative	0.0062	0.156	0.003
Entamoeba histolytica	serine/threonine protein kinase, putative	0.0096	0.3157	0.9473
Leishmania major	hypothetical protein, conserved	0.0232	0.9597	1
Schistosoma mansoni	Guanine nucleotide-binding protein G(s) subunit alpha (Adenylate cyclase-stimulating G alpha protein)	0.0055	0.1233	0.1927
Echinococcus multilocularis	RUN	0.004	0.0513	0.057
Loa Loa (eye worm)	hypothetical protein	0.0054	0.1191	0.1329
Trichomonas vaginalis	set domain proteins, putative	0.024	1	1
Schistosoma mansoni	Guanine nucleotide-binding protein G(s) subunit alpha (Adenylate cyclase-stimulating G alpha protein)	0.0055	0.1233	0.1927
Schistosoma mansoni	aldehyde dehydrogenase	0.0062	0.1536	0.2421
Echinococcus granulosus	3 hydroxyacyl coenzyme A dehydrogenase type 2	0.0062	0.156	0.1918
Echinococcus multilocularis	peregrin	0.0061	0.1524	0.182
Echinococcus multilocularis	Polycystic kidney disease protein	0.004	0.0513	0.057
Echinococcus granulosus	leucine aminopeptidase protein	0.0107	0.3689	0.4536
Brugia malayi	hypothetical protein	0.004	0.0513	0.0537
Chlamydia trachomatis	cytosol aminopeptidase	0.0107	0.3689	0.5
Loa Loa (eye worm)	hypothetical protein	0.004	0.0513	0.0537
Mycobacterium ulcerans	short-chain type dehydrogenase/reductase	0.0062	0.156	0.0113
Mycobacterium tuberculosis	Probable aldehyde dehydrogenase	0.0062	0.1536	0.1516
Plasmodium falciparum	phd finger protein, putative	0.0061	0.1524	0.3182
Brugia malayi	serine/threonine-protein kinase plk-2	0.0096	0.3157	0.3624
Trypanosoma cruzi	hypothetical protein, conserved	0.0232	0.9597	1
Wolbachia endosymbiont of Brugia malayi	leucyl aminopeptidase	0.0107	0.3689	0.5
Trypanosoma cruzi	metallo-peptidase, Clan MF, Family M17, putative	0.0107	0.3689	0.0826
Loa Loa (eye worm)	jmjC domain-containing protein	0.0127	0.4617	0.5329
Toxoplasma gondii	PHD-finger domain-containing protein	0.0061	0.1524	0.4045
Brugia malayi	Doublecortin family protein	0.004	0.0513	0.0537
Trypanosoma cruzi	phosphomannose isomerase, putative	0.0099	0.3291	0.0207
Trichomonas vaginalis	CAMK family protein kinase	0.0096	0.3157	0.2509
Schistosoma mansoni	polycystin 1-related	0.004	0.0513	0.0752
Loa Loa (eye worm)	TAR-binding protein	0.0076	0.2239	0.2553
Echinococcus granulosus	mannose 6 phosphate isomerase	0.0099	0.3291	0.4046
Onchocerca volvulus	Serine\/threonine kinase homolog	0.0096	0.3157	0.3121
Loa Loa (eye worm)	hypothetical protein	0.004	0.0513	0.0537
Trichomonas vaginalis	CAMK family protein kinase	0.0096	0.3157	0.2509
Echinococcus multilocularis	jumonji domain containing protein	0.0085	0.2662	0.3228
Schistosoma mansoni	rab6-interacting	0.004	0.0513	0.0752
Brugia malayi	PHD-finger family protein	0.0061	0.1524	0.1717
Loa Loa (eye worm)	doublecortin family protein	0.004	0.0513	0.0537
Schistosoma mansoni	jumonji domain containing protein	0.016	0.6178	1
Toxoplasma gondii	phosphomannose isomerase type I protein	0.0099	0.3291	0.8904
Schistosoma mansoni	mannose-6-phosphate isomerase	0.0099	0.3291	0.5286
Brugia malayi	RNA recognition motif domain containing protein	0.0076	0.2239	0.2553
Brugia malayi	Calcitonin receptor-like protein seb-1	0.0054	0.1191	0.1329
Trypanosoma cruzi	cytosolic leucyl aminopeptidase, putative	0.0107	0.3689	0.0826
Loa Loa (eye worm)	mannose-6-phosphate isomerase	0.0099	0.3291	0.378
Loa Loa (eye worm)	RNA recognition domain-containing protein domain-containing protein	0.0076	0.2239	0.2553
Echinococcus multilocularis	Transcription factor, JmjC domain containing protein	0.0201	0.8134	1
Echinococcus granulosus	histone lysine methyltransferase setb	0.003	0.0053	0.0065
Schistosoma mansoni	hypothetical protein	0.0037	0.0377	0.0529
Trypanosoma brucei	hypothetical protein, conserved	0.0232	0.9597	1
Schistosoma mansoni	tar DNA-binding protein	0.0076	0.2239	0.357
Schistosoma mansoni	tar DNA-binding protein	0.0076	0.2239	0.357
Echinococcus granulosus	arachidonate 5 lipoxygenase	0.0112	0.3924	0.4824
Schistosoma mansoni	hypothetical protein	0.004	0.0513	0.0752
Schistosoma mansoni	serine/threonine protein kinase	0.0096	0.3157	0.5068
Echinococcus granulosus	PHD finger protein rhinoceros	0.0061	0.1524	0.1873
Schistosoma mansoni	lipoxygenase	0.004	0.0513	0.0752
Loa Loa (eye worm)	PHD-finger family protein	0.0061	0.1524	0.1717
Giardia lamblia	Kinase, PLK	0.0096	0.3157	1
Loa Loa (eye worm)	PLK/PLK1 protein kinase	0.0096	0.3157	0.3624
Loa Loa (eye worm)	hypothetical protein	0.0061	0.1524	0.1717
Leishmania major	cytosolic leucyl aminopeptidase,metallo-peptidase, Clan MF, Family M17	0.0107	0.3689	0.2671
Toxoplasma gondii	aldehyde dehydrogenase	0.0062	0.1536	0.4079
Echinococcus multilocularis	lysine specific demethylase 5A	0.0074	0.2135	0.2577
Brugia malayi	latrophilin 2 splice variant baaae	0.0037	0.0377	0.0379
Echinococcus granulosus	tar DNA binding protein	0.0076	0.2239	0.2753
Plasmodium vivax	M17 leucyl aminopeptidase, putative	0.0107	0.3689	1
Brugia malayi	Bromodomain containing protein	0.0061	0.1524	0.1717
Brugia malayi	Corticotropin releasing factor receptor 2 precursor, putative	0.0054	0.1191	0.1329
Leishmania major	phosphomannose isomerase	0.0099	0.3291	0.2177
Echinococcus granulosus	serine:threonine protein kinase PLK1	0.0096	0.3157	0.3881
Brugia malayi	jmjC domain containing protein	0.0074	0.2135	0.2431
Loa Loa (eye worm)	pigment dispersing factor receptor c	0.0054	0.1191	0.1329
Echinococcus granulosus	Polycystic kidney disease protein	0.004	0.0513	0.0631
Mycobacterium tuberculosis	Probable short-chain type dehydrogenase/reductase	0.0062	0.156	0.1612
Brugia malayi	mannose-6-phosphate isomerase, class I family protein	0.0099	0.3291	0.378
Loa Loa (eye worm)	GTP-binding regulatory protein Gs alpha-S chain	0.0055	0.1233	0.1378
Echinococcus multilocularis	mannose 6 phosphate isomerase	0.0099	0.3291	0.4007
Schistosoma mansoni	loxhd1	0.004	0.0513	0.0752
Schistosoma mansoni	hypothetical protein	0.0061	0.1524	0.2401
Echinococcus multilocularis	3 hydroxyacyl coenzyme A dehydrogenase type 2	0.0062	0.156	0.1866
Onchocerca volvulus		0.004	0.0513	0.0463
Trypanosoma brucei	phosphomannose isomerase	0.0099	0.3291	0.0207
Echinococcus granulosus	peregrin	0.0061	0.1524	0.1873
Schistosoma mansoni	aldehyde dehydrogenase	0.0062	0.1536	0.2421
Echinococcus granulosus	RUN	0.004	0.0513	0.0631
Brugia malayi	Pre-SET motif family protein	0.0211	0.8618	1
Echinococcus multilocularis	PHD finger protein rhinoceros	0.0061	0.1524	0.182
Echinococcus granulosus	jumonji domain containing protein	0.0085	0.2662	0.3272
Trypanosoma brucei	metallo-peptidase, Clan MF, Family M17	0.0107	0.3689	0.0826
Schistosoma mansoni	3-hydroxyacyl-CoA dehydrogenase	0.0062	0.156	0.2461
Loa Loa (eye worm)	pre-SET domain-containing protein family protein	0.0211	0.8618	1
Plasmodium falciparum	mannose-6-phosphate isomerase, putative	0.0099	0.3291	0.8745
Echinococcus multilocularis	lipoxygenase domain containing protein	0.004	0.0513	0.057
Trichomonas vaginalis	CAMK family protein kinase	0.0096	0.3157	0.2509
Loa Loa (eye worm)	hypothetical protein	0.0105	0.3599	0.414
Echinococcus multilocularis	leucine aminopeptidase protein	0.0107	0.3689	0.45
Echinococcus multilocularis	guanine nucleotide binding protein G(s) subunit	0.0055	0.1233	0.1461
Schistosoma mansoni	tar DNA-binding protein	0.0076	0.2239	0.357
Mycobacterium ulcerans	leucyl aminopeptidase	0.0107	0.3689	1
Echinococcus multilocularis	guanine nucleotide binding protein G(s) subunit	0.0055	0.1233	0.1461
Echinococcus granulosus	lipoxygenase domain containing protein	0.004	0.0513	0.0631
Plasmodium vivax	mannose-6-phosphate isomerase, putative	0.0099	0.3291	0.8904
Echinococcus granulosus	lysine specific demethylase 5A	0.0074	0.2135	0.2625
Plasmodium vivax	multidomain scavenger receptor, putative	0.004	0.0513	0.1266
Schistosoma mansoni	jumonji/arid domain-containing protein	0.0074	0.2135	0.3399
Trichomonas vaginalis	CAMK family protein kinase	0.0096	0.3157	0.2509
Onchocerca volvulus	Alhambra homolog	0.0061	0.1524	0.1479
Mycobacterium leprae	Probable cytosol aminopeptidase PepB	0.0107	0.3689	1

Activities

Activity type	Activity value	Assay description	Source	Reference
Potency (functional)	17.7828 uM	PubChem BioAssay. qHTS of TDP-43 Inhibitors. (Class of assay: confirmatory)	ChEMBL.	No reference
Potency (functional)	70.7946 uM	PubChem BioAssay. qHTS for Antagonist of cAMP-regulated guanine nucleotide exchange factor 3 (EPAC1): primary screen. (Class of assay: confirmatory)	ChEMBL.	No reference
Potency (functional)	89.1251 uM	PUBCHEM_BIOASSAY: HTS for Inhibitors of HP1-beta Chromodomain Interactions with Methylated Histone Tails. (Class of assay: confirmatory) [Related pubchem assays (depositor defined):AID488962]	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: CHEMBL1872106

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 1130615