TDR Targets

Basic information

Technical information

Name: Unnamed compound
MW: 283.391 | Formula: C16H17N3S
H donors: 1 H acceptors: 2 LogP: 4.45 Rotable bonds: 3
Rule of 5 violations (Lipinski): 1
SMILES: CC(Nc1nc2ccsc2c(n1)c1ccccc1C)C
InChi: 1S/C16H17N3S/c1-10(2)17-16-18-13-8-9-20-15(13)14(19-16)12-7-5-4-6-11(12)3/h4-10H,1-3H3,(H,17,18,19)
InChiKey: OSKPBQVQJMCUAU-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

No curated genes were found associated with this compound

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
Trichomonas vaginalis	CAMK family protein kinase	0.0049	0.0512	0.1751
Echinococcus multilocularis	hepatocyte nuclear factor 4 alpha	0.0129	0.3348	0.3253
Echinococcus multilocularis	Nuclear hormone receptor HR96	0.0061	0.0944	0.0814
Brugia malayi	Ligand-binding domain of nuclear hormone receptor family protein	0.0129	0.3348	1
Schistosoma mansoni	inositol monophosphatase	0.0038	0.0141	0.0094
Loa Loa (eye worm)	hypothetical protein	0.0061	0.0944	0.0901
Brugia malayi	nuclear hormone receptor family member odr-7	0.0061	0.0944	0.2716
Echinococcus granulosus	retinoic acid receptor rxr beta a	0.0129	0.3348	0.3253
Brugia malayi	orphan nuclear receptor NR2E1	0.0061	0.0944	0.2716
Echinococcus granulosus	Nuclear hormone receptor family member nhr 41	0.0129	0.3348	0.3253
Echinococcus multilocularis	serine:threonine protein kinase PLK1	0.0098	0.2262	0.2152
Schistosoma mansoni	zinc finger protein	0.0061	0.0944	0.0901
Brugia malayi	RNA, U transporter 1	0.0084	0.1781	0.5252
Echinococcus multilocularis	Nuclear hormone receptor HR96	0.0061	0.0944	0.0814
Echinococcus granulosus	nuclear receptor 2DBD gamma	0.0129	0.3348	0.3253
Brugia malayi	Nuclear hormone receptor family member nhr-49	0.0129	0.3348	1
Echinococcus multilocularis	nuclear receptor nhr 48	0.0061	0.0944	0.0814
Echinococcus granulosus	nuclear receptor nhr 48	0.0061	0.0944	0.0814
Loa Loa (eye worm)	PLK/PLK1 protein kinase	0.0098	0.2262	0.2226
Onchocerca volvulus	Protein ultraspiracle homolog	0.0129	0.3348	1
Echinococcus granulosus	lysine specific demethylase 5A	0.0061	0.0937	0.0808
Brugia malayi	Nuclear hormone receptor family member nhr-1	0.0129	0.3348	1
Trichomonas vaginalis	CAMK family protein kinase	0.0098	0.2262	1
Brugia malayi	serine/threonine-protein kinase plk-2	0.0098	0.2262	0.6711
Mycobacterium ulcerans	aldehyde dehydrogenase	0.0126	0.3234	1
Toxoplasma gondii	aldehyde dehydrogenase	0.0126	0.3234	1
Echinococcus multilocularis	Nuclear hormone receptor family member nhr 41	0.0129	0.3348	0.3253
Echinococcus multilocularis	nuclear receptor subfamily 4 group A	0.0061	0.0944	0.0814
Loa Loa (eye worm)	hypothetical protein	0.0129	0.3348	0.3317
Loa Loa (eye worm)	hypothetical protein	0.0061	0.0944	0.0901
Mycobacterium ulcerans	aldehyde dehydrogenase	0.0126	0.3234	1
Onchocerca volvulus		0.0129	0.3348	1
Loa Loa (eye worm)	hypothetical protein	0.0068	0.1201	0.116
Trypanosoma brucei	polo-like protein kinase	0.0098	0.2262	1
Mycobacterium ulcerans	aldehyde dehydrogenase	0.0126	0.3234	1
Brugia malayi	Nuclear hormone receptor family member nhr-19	0.0129	0.3348	1
Brugia malayi	Nuclear hormone receptor family member nhr-25	0.0129	0.3348	1
Brugia malayi	Nuclear hormone receptor family member nhr-19	0.0129	0.3348	1
Schistosoma mansoni	nuclear receptor nhr-48	0.0061	0.0944	0.0901
Brugia malayi	nuclear hormone receptor	0.0129	0.3348	1
Brugia malayi	jmjC domain containing protein	0.0061	0.0937	0.2697
Brugia malayi	nuclear hormone receptor	0.0061	0.0944	0.2716
Schistosoma mansoni	thyroid hormone receptor	0.0129	0.3348	0.3317
Schistosoma mansoni	FTZ-F1 nuclear receptor-like protein	0.0129	0.3348	0.3317
Loa Loa (eye worm)	nuclear hormone receptor-like 1	0.0068	0.1201	0.116
Brugia malayi	nuclear receptor RXR	0.0061	0.0944	0.2716
Echinococcus multilocularis	nuclear receptor 2DBD gamma	0.0061	0.0944	0.0814
Loa Loa (eye worm)	nuclear hormone receptor family member nhr-31	0.0129	0.3348	0.3317
Echinococcus granulosus	COUP TF:Svp nuclear hormone receptor	0.0129	0.3348	0.3253
Echinococcus granulosus	aldehyde dehydrogenase mitochondrial	0.0126	0.3234	0.3138
Echinococcus multilocularis	snurportin 1	0.0317	1	1
Loa Loa (eye worm)	hypothetical protein	0.0129	0.3348	0.3317
Brugia malayi	nuclear receptor RXR	0.0068	0.1201	0.3496
Loa Loa (eye worm)	hypothetical protein	0.0061	0.0944	0.0901
Schistosoma mansoni	retinoid-x-receptor (RXR)	0.0068	0.1201	0.116
Giardia lamblia	Kinase, PLK	0.0098	0.2262	0.5
Echinococcus granulosus	serine:threonine protein kinase PLK1	0.0098	0.2262	0.2152
Brugia malayi	hypothetical protein	0.0068	0.1201	0.3496
Echinococcus granulosus	FTZ F1 nuclear receptor protein	0.0129	0.3348	0.3253
Brugia malayi	nuclear receptor NHR-67	0.0061	0.0944	0.2716
Trichomonas vaginalis	CAMK family protein kinase	0.0098	0.2262	1
Brugia malayi	Nuclear hormone receptor family member nhr-25	0.0129	0.3348	1
Schistosoma mansoni	inositol monophosphatase	0.0038	0.0141	0.0094
Schistosoma mansoni	hepatocyte nuclear factor 4-alpha (hnf-4-alpha)	0.0061	0.0944	0.0901
Echinococcus multilocularis	nuclear receptor subfamily 1 group D	0.0068	0.1201	0.1075
Brugia malayi	Nuclear hormone receptor-like 1	0.0068	0.1201	0.3496
Loa Loa (eye worm)	hypothetical protein	0.0061	0.0944	0.0901
Loa Loa (eye worm)	hypothetical protein	0.0061	0.0944	0.0901
Loa Loa (eye worm)	hypothetical protein	0.0061	0.0944	0.0901
Schistosoma mansoni	jumonji/arid domain-containing protein	0.0061	0.0937	0.0894
Loa Loa (eye worm)	pigment dispersing factor receptor c	0.0052	0.0626	0.0581
Wolbachia endosymbiont of Brugia malayi	fructose-1,6-bisphosphatase	0.0038	0.0141	0.5
Schistosoma mansoni	nuclear hormone receptor	0.0061	0.0944	0.0901
Schistosoma mansoni	RAR-like nuclear receptor	0.0129	0.3348	0.3317
Entamoeba histolytica	serine/threonine protein kinase, putative	0.0098	0.2262	1
Brugia malayi	conserved hypotetical protein	0.0061	0.0944	0.2716
Brugia malayi	Nuclear hormone receptor E75	0.0061	0.0944	0.2716
Mycobacterium tuberculosis	Probable aldehyde dehydrogenase	0.0126	0.3234	1
Echinococcus multilocularis	retinoic acid receptor rxr beta a retinoic acid receptor rxr alpha a retinoic acid receptor rxr alpha	0.0061	0.0944	0.0814
Loa Loa (eye worm)	nuclear Hormone Receptor family member	0.0129	0.3348	0.3317
Schistosoma mansoni	coup transcription factor	0.0129	0.3348	0.3317
Trichomonas vaginalis	CAMK family protein kinase	0.0098	0.2262	1
Echinococcus multilocularis	aldehyde dehydrogenase, mitochondrial	0.0126	0.3234	0.3138
Loa Loa (eye worm)	inositol-1	0.0038	0.0141	0.0094
Brugia malayi	Corticotropin releasing factor receptor 2 precursor, putative	0.0052	0.0626	0.1753
Brugia malayi	jmjC domain containing protein	0.0061	0.0937	0.2697
Loa Loa (eye worm)	hypothetical protein	0.0129	0.3348	0.3317
Echinococcus multilocularis	nuclear receptor 2DBD gamma	0.0129	0.3348	0.3253
Loa Loa (eye worm)	DR-78	0.0061	0.0944	0.0901
Loa Loa (eye worm)	hypothetical protein	0.0061	0.0944	0.0901
Schistosoma mansoni	thyroid hormone receptor	0.0129	0.3348	0.3317
Schistosoma mansoni	hypothetical protein	0.0317	1	1
Schistosoma mansoni	retinoic acid receptor RXR	0.0129	0.3348	0.3317
Brugia malayi	ecdysone receptor	0.0061	0.0944	0.2716
Brugia malayi	steroid hormone receptor	0.0129	0.3348	1
Loa Loa (eye worm)	hypothetical protein	0.0129	0.3348	0.3317
Leishmania major	protein kinase, putative,polo-like protein kinase, putative	0.0098	0.2262	0.6858
Echinococcus granulosus	Nuclear hormone receptor HR96	0.0061	0.0944	0.0814
Echinococcus granulosus	nuclear receptor subfamily 1 group D	0.0068	0.1201	0.1075
Loa Loa (eye worm)	hypothetical protein	0.0068	0.1201	0.116
Loa Loa (eye worm)	steroid hormone receptor	0.0129	0.3348	0.3317
Echinococcus multilocularis	FTZ F1 nuclear receptor protein	0.0129	0.3348	0.3253
Trichomonas vaginalis	CAMK family protein kinase	0.0098	0.2262	1
Loa Loa (eye worm)	nuclear hormone receptor family member nhr-1	0.0129	0.3348	0.3317
Echinococcus multilocularis	thyroid hormone receptor alpha	0.0129	0.3348	0.3253
Loa Loa (eye worm)	hypothetical protein	0.0068	0.1201	0.116
Onchocerca volvulus	Bile acid receptor homolog	0.0129	0.3348	1
Brugia malayi	Inositol-1	0.0038	0.0141	0.0285
Schistosoma mansoni	aldehyde dehydrogenase	0.0126	0.3234	0.3203
Trichomonas vaginalis	CAMK family protein kinase	0.0098	0.2262	1
Schistosoma mansoni	nuclear hormone receptor	0.0061	0.0944	0.0901
Schistosoma mansoni	nuclear receptor 2DBD-gamma	0.0129	0.3348	0.3317
Schistosoma mansoni	nuclear hormone receptor	0.0129	0.3348	0.3317
Schistosoma mansoni	serine/threonine protein kinase	0.0098	0.2262	0.2226
Loa Loa (eye worm)	hypothetical protein	0.0061	0.0944	0.0901
Loa Loa (eye worm)	nuclear receptor NHR-67	0.0061	0.0944	0.0901
Brugia malayi	Nuclear hormone receptor-like 1	0.0129	0.3348	1
Echinococcus granulosus	thyroid hormone receptor alpha	0.0061	0.0944	0.0814
Echinococcus multilocularis	ecdysone induced protein 78C	0.0129	0.3348	0.3253
Echinococcus granulosus	nuclear receptor 2DBD gamma	0.0129	0.3348	0.3253
Brugia malayi	hypothetical protein	0.0061	0.0944	0.2716
Loa Loa (eye worm)	hypothetical protein	0.0129	0.3348	0.3317
Echinococcus granulosus	ecdysone induced protein 78C	0.0129	0.3348	0.3253
Echinococcus granulosus	Transcription factor JmjC domain containing protein	0.0061	0.0937	0.0808
Schistosoma mansoni	nuclear hormone receptor superfamily protein-related	0.0061	0.0944	0.0901
Schistosoma mansoni	steroid hormone receptor ad4bp	0.0129	0.3348	0.3317
Brugia malayi	nuclear receptor subfamily 1, group D, member 1, putative	0.0061	0.0944	0.2716
Loa Loa (eye worm)	nucleolar RNA-associated protein alpha	0.0317	1	1
Schistosoma mansoni	ecdysone-induced protein 78c (dr-78)	0.0068	0.1201	0.116
Schistosoma mansoni	jumonji/arid domain-containing protein	0.0061	0.0937	0.0894
Brugia malayi	Calcitonin receptor-like protein seb-1	0.0052	0.0626	0.1753
Trypanosoma cruzi	polo-like protein kinase, putative	0.0098	0.2262	1
Echinococcus multilocularis	FTZ F1 alpha	0.0129	0.3348	0.3253
Brugia malayi	Steroid receptor seven-up type 2	0.0129	0.3348	1
Leishmania major	aldehyde dehydrogenase, mitochondrial precursor	0.0126	0.3234	1
Brugia malayi	Ligand-binding domain of nuclear hormone receptor family protein	0.0129	0.3348	1
Brugia malayi	hypothetical protein	0.0061	0.0944	0.2716
Loa Loa (eye worm)	hypothetical protein	0.0061	0.0944	0.0901
Brugia malayi	nuclear hormone receptor family member nhr-6	0.0061	0.0944	0.2716
Brugia malayi	Nuclear hormone receptor family member nhr-41	0.0129	0.3348	1
Echinococcus multilocularis	lysine specific demethylase 5A	0.0061	0.0937	0.0808
Brugia malayi	Nuclear hormone receptor family member nhr-40	0.0129	0.3348	1
Loa Loa (eye worm)	nuclear hormone receptor	0.0061	0.0944	0.0901
Mycobacterium leprae	possible inositol monophosphatase SubH (IMPase) (inositol-1-phosphatase) (I-1-Pase ).	0.0034	0	0.5
Loa Loa (eye worm)	hypothetical protein	0.0068	0.1201	0.116
Loa Loa (eye worm)	hypothetical protein	0.0061	0.0944	0.0901
Echinococcus granulosus	FTZ F1 alpha	0.0129	0.3348	0.3253
Trypanosoma cruzi	polo-like protein kinase, putative	0.0098	0.2262	1
Loa Loa (eye worm)	nuclear hormone receptor family member nhr-40	0.0129	0.3348	0.3317
Schistosoma mansoni	nuclear receptor	0.0061	0.0944	0.0901
Brugia malayi	ecdysteroid receptor	0.0129	0.3348	1
Brugia malayi	nuclear receptor NHR-88	0.0129	0.3348	1
Loa Loa (eye worm)	hypothetical protein	0.0129	0.3348	0.3317
Echinococcus granulosus	hepatocyte nuclear factor 4 alpha	0.0129	0.3348	0.3253
Schistosoma mansoni	nuclear receptor	0.0061	0.0944	0.0901
Brugia malayi	nuclear receptor NHR-88	0.0061	0.0944	0.2716
Brugia malayi	tailless protein	0.0061	0.0944	0.2716
Echinococcus multilocularis	nuclear receptor 2DBD gamma	0.0129	0.3348	0.3253
Loa Loa (eye worm)	nuclear receptor nhr-7B	0.0061	0.0944	0.0901
Trichomonas vaginalis	CAMK family protein kinase	0.0098	0.2262	1
Loa Loa (eye worm)	hypothetical protein	0.0068	0.1201	0.116
Echinococcus multilocularis	COUP TF:Svp nuclear hormone receptor	0.0129	0.3348	0.3253
Echinococcus granulosus	nuclear receptor subfamily 4 group A	0.0061	0.0944	0.0814
Onchocerca volvulus	Serine\/threonine kinase homolog	0.0098	0.2262	0.5484
Loa Loa (eye worm)	hypothetical protein	0.0052	0.0626	0.0581
Brugia malayi	Nuclear hormone receptor family member nhr-3	0.0129	0.3348	1
Loa Loa (eye worm)	nuclear hormone receptor family member nhr-14	0.0129	0.3348	0.3317
Schistosoma mansoni	Tr4/Tr2 (homologue)	0.0129	0.3348	0.3317
Schistosoma mansoni	retinoid-x-receptor (RXR)	0.0129	0.3348	0.3317
Schistosoma mansoni	photoreceptor-specific nuclear receptor related	0.0129	0.3348	0.3317
Brugia malayi	Nuclear hormone receptor family member nhr-14	0.0129	0.3348	1
Brugia malayi	Nuclear hormone receptor E75	0.0061	0.0944	0.2716
Loa Loa (eye worm)	jmjC domain-containing protein	0.0061	0.0937	0.0894
Schistosoma mansoni	nuclear hormone receptor nor-1/nor-2	0.0129	0.3348	0.3317
Loa Loa (eye worm)	hypothetical protein	0.0061	0.0944	0.0901
Echinococcus multilocularis	Transcription factor, JmjC domain containing protein	0.0061	0.0937	0.0808
Schistosoma mansoni	aldehyde dehydrogenase	0.0126	0.3234	0.3203
Brugia malayi	hypothetical protein	0.0068	0.1201	0.3496
Onchocerca volvulus	Steroid hormone receptor family member cnr14 homolog	0.0129	0.3348	1
Brugia malayi	Nuclear hormone receptor-like 1	0.0068	0.1201	0.3496
Loa Loa (eye worm)	nuclear hormone receptor family member nhr-41	0.0129	0.3348	0.3317
Loa Loa (eye worm)	hypothetical protein	0.0061	0.0944	0.0901
Echinococcus granulosus	Nuclear hormone receptor HR96	0.0061	0.0944	0.0814
Loa Loa (eye worm)	nuclear hormone receptor family member nhr-49	0.0129	0.3348	0.3317
Trichomonas vaginalis	CAMK family protein kinase	0.0049	0.0512	0.1751
Echinococcus granulosus	nuclear receptor 2DBD gamma	0.0061	0.0944	0.0814
Schistosoma mansoni	kinase	0.005	0.0558	0.0513
Brugia malayi	Nuclear hormone receptor family member nhr-31	0.0129	0.3348	1
Brugia malayi	photoreceptor-specific nuclear receptor	0.0129	0.3348	1
Trichomonas vaginalis	CAMK family protein kinase	0.0098	0.2262	1
Loa Loa (eye worm)	hypothetical protein	0.0129	0.3348	0.3317
Loa Loa (eye worm)	hypothetical protein	0.0129	0.3348	0.3317
Schistosoma mansoni	jumonji domain containing protein	0.0061	0.0937	0.0894
Loa Loa (eye worm)	hypothetical protein	0.0061	0.0944	0.0901

Activities

Activity type	Activity value	Assay description	Source	Reference
Potency (functional)	25.1189 uM	PUBCHEM_BIOASSAY: qHTS for Inhibitors of TGF-b. (Class of assay: confirmatory) [Related pubchem assays (depositor defined):AID588856, AID588860]	ChEMBL.	No reference
Potency (functional)	35.4813 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: CHEMBL1895941

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 1575097