TDR Targets

Basic information

Technical information

Name: Unnamed compound
MW: 344.385 | Formula: C17H16N2O4S
H donors: 1 H acceptors: 1 LogP: 2.16 Rotable bonds: 5
Rule of 5 violations (Lipinski): 1
SMILES: COc1cc(cc(c1OC)OC)c1nc(c[nH]c1=O)c1cscc1
InChi: 1S/C17H16N2O4S/c1-21-13-6-11(7-14(22-2)16(13)23-3)15-17(20)18-8-12(19-15)10-4-5-24-9-10/h4-9H,1-3H3,(H,18,20)
InChiKey: SJXPTBKJNMSAFQ-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	platelet-derived growth factor receptor, beta polypeptide	Starlite/ChEMBL	References

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
Schistosoma mansoni	neuropeptide receptor	0.002	1	1
Echinococcus granulosus	7tm_1 domain containing protein	0.002	1	1
Schistosoma mansoni	neuropeptide F-like receptor	0.002	1	1
Onchocerca volvulus		0.002	1	0.5
Echinococcus multilocularis	biogenic amine (5HT) receptor	0.002	1	1
Loa Loa (eye worm)	hypothetical protein	0.002	1	1
Loa Loa (eye worm)	hypothetical protein	0.002	1	1
Echinococcus granulosus	hypothetical protein	0.002	1	1
Brugia malayi	hypothetical protein	0.002	1	1
Schistosoma mansoni	biogenic amine (5HT) receptor	0.002	1	1
Echinococcus multilocularis	fmrfamide receptor	0.002	1	1
Echinococcus multilocularis	rhodopsin orphan GPCR	0.002	1	1
Echinococcus multilocularis	neuropeptide receptor	0.002	1	1
Echinococcus granulosus	rhodopsin orphan GPCR	0.002	1	1
Loa Loa (eye worm)	hypothetical protein	0.002	1	1
Schistosoma mansoni	histamine h1 receptor	0.002	1	1
Echinococcus granulosus	biogenic amine 5HT receptor	0.002	1	1
Echinococcus granulosus	neuropeptide receptor	0.002	1	1
Loa Loa (eye worm)	hypothetical protein	0.002	1	1
Loa Loa (eye worm)	hypothetical protein	0.0015	0.5872	0.415
Loa Loa (eye worm)	hypothetical protein	0.002	1	1
Brugia malayi	Tachykinin-like peptides receptor 99D	0.002	1	1
Echinococcus granulosus	serotonin receptor	0.002	1	1
Loa Loa (eye worm)	hypothetical protein	0.002	1	1
Echinococcus multilocularis	sex peptide receptor	0.002	1	1
Schistosoma mansoni	amine GPCR	0.002	1	1
Echinococcus multilocularis	neuropeptide s receptor	0.002	1	1
Echinococcus multilocularis	orexin receptor type 2	0.002	1	1
Brugia malayi	G-protein coupled receptor	0.002	1	1
Schistosoma mansoni	neuropeptide receptor	0.002	1	1
Loa Loa (eye worm)	hypothetical protein	0.002	1	1
Echinococcus multilocularis	growth hormone secretagogue receptor type 1	0.002	1	1
Echinococcus granulosus	alpha 1A adrenergic receptor	0.002	1	1
Loa Loa (eye worm)	hypothetical protein	0.002	1	1
Echinococcus multilocularis	roundabout 2	0.0018	0.8166	0.74
Loa Loa (eye worm)	hypothetical protein	0.002	1	1
Onchocerca volvulus		0.002	1	0.5
Onchocerca volvulus		0.002	1	0.5
Echinococcus multilocularis	g-protein coupled receptor	0.002	1	1
Loa Loa (eye worm)	TYRA-2 protein	0.002	1	1
Schistosoma mansoni	histamine-responsive GPCR (AAF21638)	0.002	1	1
Onchocerca volvulus		0.002	1	0.5
Echinococcus granulosus	neuropeptide FF receptor 2	0.002	1	1
Echinococcus granulosus	7TM GPCR rhodopsin	0.002	1	1
Loa Loa (eye worm)	hypothetical protein	0.002	1	1
Echinococcus granulosus	growth hormone secretagogue receptor type 1	0.002	1	1
Echinococcus multilocularis	allatostatin A receptor	0.002	1	1
Echinococcus multilocularis	neuropeptide Y receptor	0.002	1	1
Loa Loa (eye worm)	G-protein-linked acetylcholine receptor protein 2	0.002	1	1
Schistosoma mansoni	biogenic amine (dopamine) receptor	0.002	1	1
Schistosoma mansoni	amine GPCR	0.002	1	1
Brugia malayi	G protein-coupled receptor	0.002	1	1
Echinococcus granulosus	rhodopsin orphan GPCR	0.002	1	1
Echinococcus granulosus	fmrfamide receptor	0.002	1	1
Echinococcus granulosus	neuropeptide receptor A26	0.002	1	1
Echinococcus granulosus	g protein linked acetylcholine receptor gar 2a	0.002	1	1
Loa Loa (eye worm)	hypothetical protein	0.002	1	1
Echinococcus granulosus	orexin receptor type 2	0.002	1	1
Echinococcus multilocularis	serotonin receptor	0.002	1	1
Onchocerca volvulus		0.002	1	0.5
Loa Loa (eye worm)	hypothetical protein	0.002	1	1
Echinococcus granulosus	tachykinin peptides receptor 99D	0.002	1	1
Echinococcus granulosus	sex peptide receptor	0.002	1	1
Echinococcus multilocularis	neuroglian	0.0014	0.5237	0.3251
Echinococcus multilocularis	rhodopsin orphan GPCR	0.002	1	1
Loa Loa (eye worm)	hypothetical protein	0.002	1	1
Loa Loa (eye worm)	TK/KIN16 protein kinase	0.0016	0.6688	0.5306
Schistosoma mansoni	biogenic amine (dopamine) receptor	0.002	1	1
Echinococcus granulosus	rhodopsin orphan GPCR	0.002	1	1
Brugia malayi	gonadotropin-releasing hormone receptor 2	0.002	1	1
Schistosoma mansoni	vesicular amine transporter	0.0011	0.2944	0.2944
Echinococcus granulosus	g protein coupled receptor	0.002	1	1
Schistosoma mansoni	defective proboscis extension response (dpr)-related	0.0011	0.2944	0.2944
Onchocerca volvulus		0.002	1	0.5
Echinococcus granulosus	dro:myosuppressin receptor	0.002	1	1
Echinococcus granulosus	tm gpcr rhodopsin	0.002	1	1
Echinococcus multilocularis	g protein linked acetylcholine receptor gar 2a	0.002	1	1
Loa Loa (eye worm)	hypothetical protein	0.002	1	1
Loa Loa (eye worm)	hypothetical protein	0.002	1	1
Echinococcus multilocularis	somatostatin receptor	0.002	1	1
Loa Loa (eye worm)	hypothetical protein	0.002	1	1
Onchocerca volvulus		0.002	1	0.5
Schistosoma mansoni	rhodopsin-like orphan GPCR	0.002	1	1
Brugia malayi	G-protein coupled receptor	0.002	1	1
Loa Loa (eye worm)	hypothetical protein	0.002	1	1
Loa Loa (eye worm)	hypothetical protein	0.002	1	1
Echinococcus multilocularis	neuropeptide Y receptor	0.002	1	1
Onchocerca volvulus	Dopamine\/Ecdysteroid receptor homolog	0.002	1	0.5
Brugia malayi	sulfakinin receptor protein	0.002	1	1
Schistosoma mansoni	neuropeptide receptor	0.002	1	1
Schistosoma mansoni	neuropeptide receptor	0.002	1	1
Echinococcus granulosus	peptide allatostatin:somatostatin	0.002	1	1
Brugia malayi	Immunoglobulin I-set domain containing protein	0.0016	0.6688	0.5306
Schistosoma mansoni	rhodopsin-like orphan GPCR	0.002	1	1
Loa Loa (eye worm)	hypothetical protein	0.002	1	1
Schistosoma mansoni	biogenic amine receptor	0.002	1	1
Echinococcus granulosus	neuropeptides capa receptor	0.002	1	1
Brugia malayi	G-protein-linked acetylcholine receptor protein 2, putative	0.002	1	1
Schistosoma mansoni	rhodopsin-like orphan GPCR	0.002	1	1
Echinococcus multilocularis	neuropeptides capa receptor	0.002	1	1
Loa Loa (eye worm)	G-protein coupled receptor	0.002	1	1
Onchocerca volvulus		0.002	1	0.5
Schistosoma mansoni	peptide (FMRFamide/neurokinin-3)-like receptor	0.002	1	1
Schistosoma mansoni	opsin-like receptor	0.002	1	1
Loa Loa (eye worm)	hypothetical protein	0.002	1	1
Echinococcus multilocularis	pyroglutamylated rfamide peptide receptor	0.002	1	1
Schistosoma mansoni	neuropeptide f receptor 76f	0.002	1	1
Brugia malayi	hypothetical protein	0.002	1	1
Schistosoma mansoni	muscarinic acetylcholine (GAR) receptor	0.002	1	1
Echinococcus multilocularis	neuropeptide receptor	0.002	1	1
Brugia malayi	AKH receptor	0.002	1	1
Onchocerca volvulus		0.002	1	0.5
Schistosoma mansoni	biogenic amine (dopamine) receptor	0.002	1	1
Schistosoma mansoni	amine GPCR	0.002	1	1
Schistosoma mansoni	growth hormone secretagogue receptor	0.002	1	1
Echinococcus multilocularis	g protein coupled receptor	0.002	1	1
Loa Loa (eye worm)	hypothetical protein	0.002	1	1
Brugia malayi	Serotonin receptor	0.002	1	1
Brugia malayi	hypothetical protein	0.002	1	1
Loa Loa (eye worm)	hypothetical protein	0.002	1	1
Schistosoma mansoni	hypothetical protein	0.002	1	1
Echinococcus multilocularis	g protein coupled receptor	0.002	1	1
Schistosoma mansoni	amine GPCR	0.002	1	1
Schistosoma mansoni	opsin-like receptor	0.002	1	1
Echinococcus multilocularis	tm gpcr rhodopsin gpcr rhodopsin superfamily	0.002	1	1
Schistosoma mansoni	biogenic amine receptor	0.002	1	1
Loa Loa (eye worm)	hypothetical protein	0.002	1	1
Onchocerca volvulus		0.002	1	0.5
Schistosoma mansoni	rhodopsin-like orphan GPCR	0.002	1	1
Echinococcus multilocularis	neuropeptide FF receptor 2	0.002	1	1
Loa Loa (eye worm)	hypothetical protein	0.0018	0.8166	0.74
Loa Loa (eye worm)	hypothetical protein	0.002	1	1
Brugia malayi	G protein-coupled receptor F59B2.13	0.002	1	1
Schistosoma mansoni	rhodopsin-like orphan GPCR	0.002	1	1
Schistosoma mansoni	ancient conserved domain protein 2 (cyclin m2)	0.002	1	1
Loa Loa (eye worm)	gonadotropin-releasing hormone receptor 2	0.002	1	1
Onchocerca volvulus		0.002	1	0.5
Onchocerca volvulus		0.002	1	0.5
Echinococcus multilocularis	tachykinin peptides receptor 99D	0.002	1	1
Echinococcus granulosus	somatostatin receptor	0.002	1	1
Brugia malayi	putative neuropeptide receptor	0.002	1	1
Onchocerca volvulus		0.002	1	0.5
Echinococcus granulosus	rhodopsin orphan GPCR	0.002	1	1
Echinococcus multilocularis	rhodopsin orphan GPCR	0.002	1	1
Echinococcus multilocularis	serotonin receptor	0.002	1	1
Schistosoma mansoni	rhodopsin-like orphan GPCR	0.002	1	1
Loa Loa (eye worm)	hypothetical protein	0.0018	0.8166	0.74
Schistosoma mansoni	adenoreceptor	0.002	1	1
Brugia malayi	Dopamine receptor protein 2	0.002	1	1
Brugia malayi	hypothetical protein	0.002	1	1
Schistosoma mansoni	neuropeptide F-like receptor	0.002	1	1
Loa Loa (eye worm)	hypothetical protein	0.002	1	1
Loa Loa (eye worm)	hypothetical protein	0.002	1	1
Echinococcus multilocularis	rhodopsin orphan GPCR	0.002	1	1
Echinococcus granulosus	neuroglian	0.0014	0.5237	0.3251
Echinococcus granulosus	twitchin	0.0014	0.5237	0.3251
Brugia malayi	Dopamine receptor	0.002	1	1
Loa Loa (eye worm)	hypothetical protein	0.002	1	1
Loa Loa (eye worm)	hypothetical protein	0.002	1	1
Echinococcus granulosus	G protein coupled 5 hydroxytryptamine receptor	0.002	1	1
Echinococcus granulosus	thyrotropin releasing hormone receptor	0.002	1	1
Echinococcus granulosus	neuropeptide Y receptor	0.002	1	1
Echinococcus granulosus	neurotracting:lsamp:neurotrimin:obcam	0.0015	0.5872	0.415
Loa Loa (eye worm)	hypothetical protein	0.002	1	1
Echinococcus multilocularis	rhodopsin orphan GPCR	0.002	1	1
Onchocerca volvulus		0.002	1	0.5
Brugia malayi	follicle stimulating hormone receptor	0.002	1	1
Echinococcus granulosus	pyroglutamylated rfamide peptide receptor	0.002	1	1
Schistosoma mansoni	opsin-like receptor	0.002	1	1
Echinococcus granulosus	rhodopsin orphan GPCR	0.002	1	1
Loa Loa (eye worm)	neuropeptide F receptor	0.002	1	1
Brugia malayi	hypothetical protein	0.002	1	1
Loa Loa (eye worm)	hypothetical protein	0.002	1	1
Brugia malayi	hypothetical protein	0.002	1	1
Echinococcus granulosus	g protein linked acetylcholine receptor gar 2a	0.002	1	1
Echinococcus multilocularis	G-protein coupled receptor, putative	0.002	1	1
Echinococcus multilocularis	7TM GPCR, rhodopsin	0.002	1	1
Echinococcus multilocularis	rhodopsin orphan GPCR	0.002	1	1
Schistosoma mansoni	thyrotropin-releasing hormone receptor	0.002	1	1
Loa Loa (eye worm)	unidentified vitellogenin-linked transcript protein 6	0.002	1	1
Loa Loa (eye worm)	melatonin receptor type 1A	0.002	1	1
Echinococcus multilocularis	thyrotropin releasing hormone receptor	0.002	1	1
Brugia malayi	RE15519p	0.002	1	1
Echinococcus granulosus	neuropeptide Y receptor	0.002	1	1
Echinococcus granulosus	allatostatin A receptor	0.002	1	1
Echinococcus multilocularis	peptide (allatostatin:somatostatin)	0.002	1	1
Schistosoma mansoni	hypothetical protein	0.002	1	1
Brugia malayi	hypothetical protein	0.002	1	1
Schistosoma mansoni	rhodopsin-like orphan GPCR	0.002	1	1
Schistosoma mansoni	rhodopsin-like orphan GPCR	0.002	1	1
Brugia malayi	Serotonin/octopamine receptor family protein 7	0.002	1	1
Onchocerca volvulus	Neuropeptide F receptor homolog	0.002	1	0.5
Loa Loa (eye worm)	hypothetical protein	0.002	1	1
Echinococcus multilocularis	neuropeptides capa receptor	0.002	1	1
Echinococcus multilocularis	G protein coupled receptor 139	0.002	1	1
Brugia malayi	neuropeptide F receptor	0.002	1	1
Schistosoma mansoni	alpha-1 adrenergic receptor	0.002	1	1
Brugia malayi	hypothetical protein	0.002	1	1
Echinococcus multilocularis	G protein coupled 5 hydroxytryptamine receptor	0.002	1	1
Loa Loa (eye worm)	hypothetical protein	0.002	1	1
Echinococcus granulosus	g-protein coupled receptor	0.002	1	1
Schistosoma mansoni	biogenic amine (5HT) receptor	0.002	1	1
Loa Loa (eye worm)	hypothetical protein	0.002	1	1
Brugia malayi	neuropeptide F receptor	0.002	1	1
Schistosoma mansoni	nephrin	0.0014	0.5237	0.5237
Schistosoma mansoni	peptide (FMRFamide/somatostatin)-like receptor	0.002	1	1
Echinococcus granulosus	g protein coupled receptor	0.002	1	1
Echinococcus granulosus	tm gpcr rhodopsin	0.002	1	1
Brugia malayi	Melatonin receptor type 1A	0.002	1	1
Echinococcus multilocularis	g protein coupled receptor	0.002	1	1
Schistosoma mansoni	amine GPCR	0.002	1	1
Loa Loa (eye worm)	hypothetical protein	0.002	1	1
Schistosoma mansoni	hypothetical protein	0.002	1	1
Schistosoma mansoni	peptide (FMRFamide/somatostatin)-like receptor	0.002	1	1
Schistosoma mansoni	peptide (allatostatin/somatostatin)-like receptor	0.002	1	1
Echinococcus multilocularis	tm gpcr rhodopsin gpcr rhodopsin superfamily	0.002	1	1
Brugia malayi	Unidentified vitellogenin-linked transcript protein 6, putative	0.002	1	1
Brugia malayi	Serotonin receptor	0.002	1	1
Echinococcus granulosus	roundabout 2	0.0018	0.8166	0.74
Echinococcus granulosus	neuropeptide receptor	0.002	1	1
Brugia malayi	Dopamine receptor protein 1	0.002	1	1
Brugia malayi	putative neuropeptide receptor NPR1	0.002	1	1
Loa Loa (eye worm)	hypothetical protein	0.002	1	1
Onchocerca volvulus		0.002	1	0.5
Echinococcus multilocularis	fmrfamide receptor	0.002	1	1
Echinococcus multilocularis	dro:myosuppressin receptor	0.002	1	1
Loa Loa (eye worm)	hypothetical protein	0.002	1	1
Loa Loa (eye worm)	hypothetical protein	0.002	1	1
Echinococcus granulosus	neuropeptide s receptor	0.002	1	1
Echinococcus granulosus	G protein coupled receptor 139	0.002	1	1
Echinococcus multilocularis	alpha 1A adrenergic receptor	0.002	1	1
Echinococcus granulosus	rhodopsin orphan GPCR	0.002	1	1
Loa Loa (eye worm)	G-protein coupled receptor	0.002	1	1
Loa Loa (eye worm)	5-hydroxytryptamine 2C receptor	0.002	1	1
Schistosoma mansoni	myosin xvIII	0.002	1	1
Echinococcus granulosus	neuropeptides capa receptor	0.002	1	1
Loa Loa (eye worm)	hypothetical protein	0.002	1	1
Echinococcus multilocularis	g protein linked acetylcholine receptor gar 2a	0.002	1	1
Schistosoma mansoni	cell adhesion molecule	0.0015	0.5872	0.5872
Echinococcus granulosus	g protein coupled receptor	0.002	1	1
Schistosoma mansoni	hypothetical protein	0.002	1	1
Loa Loa (eye worm)	hypothetical protein	0.002	1	1
Loa Loa (eye worm)	neuropeptide F receptor	0.002	1	1
Loa Loa (eye worm)	hypothetical protein	0.002	1	1
Echinococcus multilocularis	rhodopsin orphan GPCR	0.002	1	1
Echinococcus granulosus	biogenic amine 5HT receptor	0.002	1	1
Loa Loa (eye worm)	hypothetical protein	0.002	1	1
Echinococcus granulosus	rhodopsin orphan GPCR	0.002	1	1
Echinococcus multilocularis	tm gpcr rhodopsin gpcr rhodopsin superfamily	0.002	1	1
Schistosoma mansoni	biogenic amine receptor	0.002	1	1
Schistosoma mansoni	Neurotrimin precursor (hNT)	0.0011	0.2944	0.2944
Onchocerca volvulus		0.002	1	0.5
Echinococcus multilocularis	rhodopsin orphan GPCR	0.002	1	1
Echinococcus granulosus	tm gpcr rhodopsin	0.002	1	1
Schistosoma mansoni	rhodopsin-like orphan GPCR	0.002	1	1
Onchocerca volvulus		0.002	1	0.5
Schistosoma mansoni	peptide (allatostatin)-like receptor	0.002	1	1
Echinococcus multilocularis	neuropeptide receptor A26	0.002	1	1
Brugia malayi	hypothetical protein	0.002	1	1
Loa Loa (eye worm)	follicle stimulating hormone receptor	0.002	1	1
Loa Loa (eye worm)	hypothetical protein	0.002	1	1
Loa Loa (eye worm)	hypothetical protein	0.002	1	1
Brugia malayi	larval opioid receptor	0.002	1	1
Brugia malayi	Dopamine receptor protein 1, putative (partial)	0.002	1	1
Brugia malayi	ORL1-like opioid receptor	0.002	1	1
Brugia malayi	GnHR receptor homolog	0.002	1	1
Loa Loa (eye worm)	hypothetical protein	0.002	1	1
Schistosoma mansoni	biogenic amine (octopamine/dopamine) receptor	0.002	1	1
Loa Loa (eye worm)	hypothetical protein	0.002	1	1

Activities

Activity type	Activity value	Assay description	Source	Reference
IC50 (binding)	= 1 uM	Inhibition of human recombinant PDGFRbeta using poly(Ala,Glu,Lys,Tyr) substrate	ChEMBL.	25007344

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: CHEMBL3358988

Bibliographic References

1 literature reference was collected for this gene.

If you have references for this compound, please enter them in a user comment (below) or Contact us.

Detailed information for compound 945423