TDR Targets

Basic information

Technical information

Name: Unnamed compound
MW: 333.448 | Formula: C17H23N3O2S
H donors: 0 H acceptors: 2 LogP: 2.71 Rotable bonds: 5
Rule of 5 violations (Lipinski): 1
SMILES: Cc1onc(c1)CN1CCN(CC1)C(=O)c1sccc1C(C)C
InChi: 1S/C17H23N3O2S/c1-12(2)15-4-9-23-16(15)17(21)20-7-5-19(6-8-20)11-14-10-13(3)22-18-14/h4,9-10,12H,5-8,11H2,1-3H3
InChiKey: LIZWVKITWDEUKZ-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
Brugia malayi	Nuclear hormone receptor-like 1	0.0014	0.0263	0.0263
Echinococcus granulosus	chromobox protein 1	0.0053	0.6923	0.6923
Brugia malayi	Nuclear hormone receptor family member nhr-40	0.0027	0.246	0.246
Loa Loa (eye worm)	nuclear hormone receptor family member nhr-49	0.0027	0.246	0.246
Echinococcus multilocularis	COUP TF:Svp nuclear hormone receptor	0.0027	0.246	0.246
Echinococcus multilocularis	RNA directed DNA polymerase	0.0028	0.2579	0.2579
Trichomonas vaginalis	chromobox protein, putative	0.0053	0.6923	1
Echinococcus multilocularis	nuclear receptor 2DBD gamma	0.0027	0.246	0.246
Schistosoma mansoni	FTZ-F1 nuclear receptor-like protein	0.0027	0.246	0.246
Schistosoma mansoni	chromobox protein	0.0053	0.6923	0.6923
Brugia malayi	Protein kinase c protein 2	0.0039	0.4392	0.4392
Echinococcus granulosus	protein kinase C gamma type	0.0042	0.4954	0.4954
Brugia malayi	Calcitonin receptor-like protein seb-1	0.004	0.4559	0.4559
Schistosoma mansoni	Guanine nucleotide-binding protein G(s) subunit alpha (Adenylate cyclase-stimulating G alpha protein)	0.0036	0.4002	0.4002
Schistosoma mansoni	retinoid-x-receptor (RXR)	0.0027	0.246	0.246
Schistosoma mansoni	coup transcription factor	0.0027	0.246	0.246
Brugia malayi	Ligand-binding domain of nuclear hormone receptor family protein	0.0027	0.246	0.246
Loa Loa (eye worm)	hypothetical protein	0.0037	0.4043	0.4043
Brugia malayi	Nuclear hormone receptor-like 1	0.0014	0.0263	0.0263
Schistosoma mansoni	nuclear hormone receptor nor-1/nor-2	0.0027	0.246	0.246
Schistosoma mansoni	atypical protein kinase C	0.0021	0.1338	0.1338
Echinococcus granulosus	protein kinase c iota type	0.0021	0.1338	0.1338
Onchocerca volvulus	Steroid hormone receptor family member cnr14 homolog	0.0027	0.246	0.7447
Onchocerca volvulus		0.0023	0.1811	0.5482
Brugia malayi	latrophilin 2 splice variant baaae	0.0027	0.2421	0.2421
Loa Loa (eye worm)	hypothetical protein	0.0027	0.246	0.246
Onchocerca volvulus	Bile acid receptor homolog	0.0027	0.246	0.7447
Loa Loa (eye worm)	hypothetical protein	0.0027	0.246	0.246
Brugia malayi	chromobox protein homolog 3	0.003	0.2915	0.2915
Schistosoma mansoni	RAR-like nuclear receptor	0.0027	0.246	0.246
Loa Loa (eye worm)	GTP-binding regulatory protein Gs alpha-S chain	0.0036	0.4002	0.4002
Echinococcus multilocularis	chromobox protein 1	0.0053	0.6923	0.6923
Schistosoma mansoni	serine/threonine protein kinase	0.005	0.6418	0.6418
Echinococcus multilocularis	serine:threonine protein kinase N2	0.0061	0.8232	0.8232
Brugia malayi	GTP-binding regulatory protein Gs alpha-S chain, putative	0.0036	0.4002	0.4002
Schistosoma mansoni	nuclear receptor 2DBD-gamma	0.0027	0.246	0.246
Loa Loa (eye worm)	hypothetical protein	0.0027	0.246	0.246
Echinococcus multilocularis	protein kinase c epsilon type	0.0071	1	1
Echinococcus multilocularis	protein kinase c iota type	0.0021	0.1338	0.1338
Loa Loa (eye worm)	nuclear hormone receptor family member nhr-1	0.0027	0.246	0.246
Loa Loa (eye worm)	hypothetical protein	0.0027	0.246	0.246
Brugia malayi	Nuclear hormone receptor family member nhr-25	0.0027	0.246	0.246
Brugia malayi	Nuclear hormone receptor family member nhr-14	0.0027	0.246	0.246
Echinococcus multilocularis	Protein kinase C, brain isozyme	0.005	0.6418	0.6418
Trichomonas vaginalis	chromobox protein, putative	0.0032	0.3303	0.3419
Echinococcus granulosus	guanine nucleotide binding protein Gs subunit	0.0036	0.4002	0.4002
Echinococcus granulosus	ecdysone induced protein 78C	0.0027	0.246	0.246
Brugia malayi	nuclear hormone receptor	0.0027	0.246	0.246
Loa Loa (eye worm)	hypothetical protein	0.004	0.4559	0.4559
Brugia malayi	Steroid receptor seven-up type 2	0.0027	0.246	0.246
Loa Loa (eye worm)	hypothetical protein	0.0027	0.246	0.246
Echinococcus multilocularis	thyroid hormone receptor alpha	0.0027	0.246	0.246
Loa Loa (eye worm)	nuclear hormone receptor family member nhr-31	0.0027	0.246	0.246
Onchocerca volvulus	Protein ultraspiracle homolog	0.0027	0.246	0.7447
Loa Loa (eye worm)	hypothetical protein	0.0014	0.0263	0.0263
Schistosoma mansoni	ecdysone-induced protein 78c (dr-78)	0.0014	0.0263	0.0263
Echinococcus granulosus	nuclear receptor subfamily 1 group D	0.0014	0.0263	0.0263
Echinococcus granulosus	hepatocyte nuclear factor 4 alpha	0.0027	0.246	0.246
Schistosoma mansoni	thyroid hormone receptor	0.0027	0.246	0.246
Entamoeba histolytica	PH domain containing protein kinase, putative	0.0049	0.6206	0.5
Schistosoma mansoni	retinoic acid receptor RXR	0.0027	0.246	0.246
Schistosoma mansoni	photoreceptor-specific nuclear receptor related	0.0027	0.246	0.246
Trichomonas vaginalis	chromobox protein, putative	0.0032	0.3303	0.3419
Echinococcus granulosus	guanine nucleotide binding protein Gs subunit	0.0036	0.4002	0.4002
Loa Loa (eye worm)	hypothetical protein	0.0014	0.0263	0.0263
Echinococcus granulosus	Protein kinase C brain isozyme	0.005	0.6418	0.6418
Echinococcus multilocularis	guanine nucleotide binding protein G(s) subunit	0.0036	0.4002	0.4002
Echinococcus granulosus	nuclear receptor 2DBD gamma	0.0027	0.246	0.246
Echinococcus granulosus	retinoic acid receptor rxr beta a	0.0027	0.246	0.246
Schistosoma mansoni	serine/threonine protein kinase	0.0071	1	1
Loa Loa (eye worm)	nuclear hormone receptor-like 1	0.0014	0.0263	0.0263
Echinococcus granulosus	Nuclear hormone receptor family member nhr 41	0.0027	0.246	0.246
Loa Loa (eye worm)	hypothetical protein	0.0028	0.2579	0.2579
Echinococcus granulosus	FTZ F1 nuclear receptor protein	0.0027	0.246	0.246
Schistosoma mansoni	Tr4/Tr2 (homologue)	0.0027	0.246	0.246
Brugia malayi	hypothetical protein	0.0014	0.0263	0.0263
Brugia malayi	ecdysteroid receptor	0.0027	0.246	0.246
Echinococcus granulosus	RNA directed DNA polymerase	0.0028	0.2579	0.2579
Echinococcus granulosus	protein kinase c epsilon type	0.0071	1	1
Loa Loa (eye worm)	nuclear Hormone Receptor family member	0.0027	0.246	0.246
Echinococcus multilocularis	chromobox protein 1	0.0053	0.6923	0.6923
Echinococcus granulosus	serine:threonine protein kinase N2	0.0049	0.6206	0.6206
Echinococcus multilocularis	Nuclear hormone receptor family member nhr 41	0.0027	0.246	0.246
Schistosoma mansoni	steroid hormone receptor ad4bp	0.0027	0.246	0.246
Echinococcus multilocularis	nuclear receptor 2DBD gamma	0.0027	0.246	0.246
Schistosoma mansoni	serine/threonine protein kinase	0.005	0.6418	0.6418
Brugia malayi	photoreceptor-specific nuclear receptor	0.0027	0.246	0.246
Trichomonas vaginalis	chromobox protein, putative	0.0053	0.6923	1
Loa Loa (eye worm)	hypothetical protein	0.0014	0.0263	0.0263
Echinococcus multilocularis	hepatocyte nuclear factor 4 alpha	0.0027	0.246	0.246
Loa Loa (eye worm)	hypothetical protein	0.003	0.2915	0.2915
Loa Loa (eye worm)	hypothetical protein	0.0014	0.0263	0.0263
Echinococcus granulosus	FTZ F1 alpha	0.0027	0.246	0.246
Trichomonas vaginalis	conserved hypothetical protein	0.003	0.2915	0.2714
Loa Loa (eye worm)	nuclear hormone receptor family member nhr-41	0.0027	0.246	0.246
Loa Loa (eye worm)	pigment dispersing factor receptor c	0.004	0.4559	0.4559
Brugia malayi	Corticotropin releasing factor receptor 2 precursor, putative	0.004	0.4559	0.4559
Loa Loa (eye worm)	heterochromatin protein 1	0.0053	0.6923	0.6923
Loa Loa (eye worm)	nuclear hormone receptor family member nhr-14	0.0027	0.246	0.246
Loa Loa (eye worm)	hypothetical protein	0.0027	0.246	0.246
Echinococcus multilocularis	guanine nucleotide binding protein G(s) subunit	0.0036	0.4002	0.4002
Echinococcus multilocularis	ecdysone induced protein 78C	0.0027	0.246	0.246
Echinococcus multilocularis	nuclear receptor subfamily 1 group D	0.0014	0.0263	0.0263
Echinococcus granulosus	chromobox protein 1	0.0053	0.6923	0.6923
Echinococcus granulosus	nuclear receptor 2DBD gamma	0.0027	0.246	0.246
Brugia malayi	Nuclear hormone receptor family member nhr-1	0.0027	0.246	0.246
Echinococcus multilocularis	serine threonine protein kinase	0.0042	0.4954	0.4954
Brugia malayi	Nuclear hormone receptor-like 1	0.0027	0.246	0.246
Loa Loa (eye worm)	AGC/PKC/ETA protein kinase	0.0071	1	1
Onchocerca volvulus	Heterochromatin protein 1 homolog	0.003	0.2915	0.8825
Brugia malayi	Heterochromatin protein 1	0.0053	0.6923	0.6923
Schistosoma mansoni	nuclear hormone receptor	0.0027	0.246	0.246
Brugia malayi	Nuclear hormone receptor family member nhr-25	0.0027	0.246	0.246
Loa Loa (eye worm)	nuclear hormone receptor family member nhr-40	0.0027	0.246	0.246
Trichomonas vaginalis	conserved hypothetical protein	0.003	0.2915	0.2714
Echinococcus multilocularis	FTZ F1 nuclear receptor protein	0.0027	0.246	0.246
Brugia malayi	steroid hormone receptor	0.0027	0.246	0.246
Brugia malayi	Nuclear hormone receptor family member nhr-3	0.0027	0.246	0.246
Loa Loa (eye worm)	hypothetical protein	0.0027	0.2421	0.2421
Loa Loa (eye worm)	AGC/PKC/ALPHA protein kinase	0.003	0.2928	0.2928
Brugia malayi	nuclear receptor RXR	0.0014	0.0263	0.0263
Echinococcus multilocularis	telomerase reverse transcriptase subunit	0.0028	0.2579	0.2579
Schistosoma mansoni	chromobox protein	0.0053	0.6923	0.6923
Brugia malayi	Ligand-binding domain of nuclear hormone receptor family protein	0.0027	0.246	0.246
Schistosoma mansoni	Guanine nucleotide-binding protein G(s) subunit alpha (Adenylate cyclase-stimulating G alpha protein)	0.0036	0.4002	0.4002
Schistosoma mansoni	hypothetical protein	0.0027	0.2421	0.2421
Loa Loa (eye worm)	hypothetical protein	0.0027	0.246	0.246
Brugia malayi	Nuclear hormone receptor family member nhr-49	0.0027	0.246	0.246
Echinococcus granulosus	COUP TF:Svp nuclear hormone receptor	0.0027	0.246	0.246
Brugia malayi	hypothetical protein	0.0014	0.0263	0.0263
Schistosoma mansoni	retinoid-x-receptor (RXR)	0.0014	0.0263	0.0263
Brugia malayi	nuclear receptor NHR-88	0.0027	0.246	0.246
Loa Loa (eye worm)	steroid hormone receptor	0.0027	0.246	0.246
Schistosoma mansoni	thyroid hormone receptor	0.0027	0.246	0.246
Brugia malayi	Nuclear hormone receptor family member nhr-19	0.0027	0.246	0.246
Echinococcus multilocularis	FTZ F1 alpha	0.0027	0.246	0.246
Onchocerca volvulus		0.0027	0.246	0.7447
Brugia malayi	Nuclear hormone receptor family member nhr-31	0.0027	0.246	0.246
Brugia malayi	Nuclear hormone receptor family member nhr-19	0.0027	0.246	0.246
Brugia malayi	Nuclear hormone receptor family member nhr-41	0.0027	0.246	0.246
Schistosoma mansoni	Guanine nucleotide-binding protein G(s) subunit alpha (Adenylate cyclase-stimulating G alpha protein)	0.0036	0.4002	0.4002
Onchocerca volvulus	Heterochromatin protein 1 homolog	0.0032	0.3303	1
Loa Loa (eye worm)	hypothetical protein	0.0023	0.1811	0.1811
Loa Loa (eye worm)	hypothetical protein	0.0014	0.0263	0.0263
Loa Loa (eye worm)	hypothetical protein	0.0027	0.246	0.246

Activities

No activities found for this compound.

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: CHEMBL3497074

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 2071049