TDR Targets

Basic information

Technical information

Name: Unnamed compound
MW: 397.021 | Formula: C15H19CuN5S2
H donors: 0 H acceptors: 1 LogP: 5 Rotable bonds: 6
Rule of 5 violations (Lipinski): 1
SMILES: S=C=N[Cu]S/C(=N/N=C(\c1ccccn1)/C)/N1CCCCCC1
InChi: 1S/C14H20N4S.CNS.Cu/c1-12(13-8-4-5-9-15-13)16-17-14(19)18-10-6-2-3-7-11-18;2-1-3;/h4-5,8-9H,2-3,6-7,10-11H2,1H3,(H,17,19);;/q;-1;+2/p-1/b16-12+;;
InChiKey: QRCJBAOWFQLQEK-LPMXOWGUSA-M

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
Loa Loa (eye worm)	nuclear hormone receptor family member nhr-14	0.0454	1	1
Brugia malayi	Nuclear hormone receptor-like 1	0.024	0.5171	0.5171
Loa Loa (eye worm)	nuclear receptor NHR-67	0.0214	0.4592	0.4592
Echinococcus multilocularis	FTZ F1 nuclear receptor protein	0.0454	1	1
Echinococcus granulosus	Nuclear hormone receptor HR96	0.0214	0.4592	0.4592
Echinococcus granulosus	retinoic acid receptor rxr beta a	0.0454	1	1
Brugia malayi	nuclear receptor subfamily 1, group D, member 1, putative	0.0214	0.4592	0.4592
Echinococcus granulosus	nuclear receptor subfamily 4 group A	0.0214	0.4592	0.4592
Brugia malayi	nuclear receptor RXR	0.0214	0.4592	0.4592
Brugia malayi	Nuclear hormone receptor family member nhr-25	0.0454	1	1
Loa Loa (eye worm)	hypothetical protein	0.0214	0.4592	0.4592
Loa Loa (eye worm)	hypothetical protein	0.024	0.5171	0.5171
Schistosoma mansoni	retinoid-x-receptor (RXR)	0.024	0.5171	0.5171
Brugia malayi	Nuclear hormone receptor family member nhr-31	0.0454	1	1
Echinococcus multilocularis	nuclear receptor subfamily 1 group D	0.024	0.5171	0.5171
Schistosoma mansoni	retinoid-x-receptor (RXR)	0.0454	1	1
Brugia malayi	Nuclear hormone receptor family member nhr-19	0.0454	1	1
Loa Loa (eye worm)	hypothetical protein	0.024	0.5171	0.5171
Loa Loa (eye worm)	hypothetical protein	0.0214	0.4592	0.4592
Brugia malayi	Nuclear hormone receptor family member nhr-19	0.0454	1	1
Brugia malayi	orphan nuclear receptor NR2E1	0.0214	0.4592	0.4592
Onchocerca volvulus	Steroid hormone receptor family member cnr14 homolog	0.0454	1	1
Loa Loa (eye worm)	voltage and ligand gated potassium channel	0.0036	0.0579	0.0579
Echinococcus granulosus	nuclear receptor 2DBD gamma	0.0454	1	1
Brugia malayi	Nuclear hormone receptor E75	0.0214	0.4592	0.4592
Schistosoma mansoni	voltage-gated potassium channel	0.004	0.0654	0.0654
Echinococcus granulosus	potassium voltage gated channel subfamily H	0.0036	0.0579	0.0579
Echinococcus granulosus	FTZ F1 nuclear receptor protein	0.0454	1	1
Brugia malayi	hypothetical protein	0.0214	0.4592	0.4592
Loa Loa (eye worm)	nuclear Hormone Receptor family member	0.0454	1	1
Loa Loa (eye worm)	hypothetical protein	0.0214	0.4592	0.4592
Loa Loa (eye worm)	hypothetical protein	0.0214	0.4592	0.4592
Brugia malayi	steroid hormone receptor	0.0454	1	1
Brugia malayi	nuclear hormone receptor	0.0214	0.4592	0.4592
Echinococcus granulosus	COUP TF:Svp nuclear hormone receptor	0.0454	1	1
Loa Loa (eye worm)	nuclear hormone receptor-like 1	0.024	0.5171	0.5171
Brugia malayi	Nuclear hormone receptor family member nhr-3	0.0454	1	1
Loa Loa (eye worm)	hypothetical protein	0.0214	0.4592	0.4592
Brugia malayi	hypothetical protein	0.024	0.5171	0.5171
Schistosoma mansoni	photoreceptor-specific nuclear receptor related	0.0454	1	1
Loa Loa (eye worm)	nuclear hormone receptor family member nhr-1	0.0454	1	1
Echinococcus multilocularis	nuclear receptor 2DBD gamma	0.0214	0.4592	0.4592
Loa Loa (eye worm)	hypothetical protein	0.024	0.5171	0.5171
Schistosoma mansoni	voltage-gated potassium channel	0.004	0.0654	0.0654
Loa Loa (eye worm)	nuclear hormone receptor family member nhr-41	0.0454	1	1
Echinococcus multilocularis	nuclear receptor subfamily 4 group A	0.0214	0.4592	0.4592
Loa Loa (eye worm)	hypothetical protein	0.0214	0.4592	0.4592
Trichomonas vaginalis	voltage and ligand gated potassium channel, putative	0.0034	0.0526	0.5
Loa Loa (eye worm)	hypothetical protein	0.0214	0.4592	0.4592
Echinococcus multilocularis	FTZ F1 alpha	0.0454	1	1
Brugia malayi	Nuclear hormone receptor E75	0.0214	0.4592	0.4592
Schistosoma mansoni	nuclear hormone receptor	0.0214	0.4592	0.4592
Loa Loa (eye worm)	steroid hormone receptor	0.0454	1	1
Brugia malayi	hypothetical protein	0.024	0.5171	0.5171
Schistosoma mansoni	nuclear hormone receptor	0.0454	1	1
Schistosoma mansoni	Tr4/Tr2 (homologue)	0.0454	1	1
Onchocerca volvulus	Bile acid receptor homolog	0.0454	1	1
Echinococcus multilocularis	Nuclear hormone receptor HR96	0.0214	0.4592	0.4592
Schistosoma mansoni	nuclear receptor	0.0214	0.4592	0.4592
Loa Loa (eye worm)	DR-78	0.0214	0.4592	0.4592
Brugia malayi	nuclear receptor NHR-67	0.0214	0.4592	0.4592
Loa Loa (eye worm)	hypothetical protein	0.0214	0.4592	0.4592
Schistosoma mansoni	nuclear receptor	0.0214	0.4592	0.4592
Loa Loa (eye worm)	nuclear hormone receptor family member nhr-40	0.0454	1	1
Schistosoma mansoni	zinc finger protein	0.0214	0.4592	0.4592
Schistosoma mansoni	steroid hormone receptor ad4bp	0.0454	1	1
Schistosoma mansoni	nuclear hormone receptor superfamily protein-related	0.0214	0.4592	0.4592
Onchocerca volvulus	Protein ultraspiracle homolog	0.0454	1	1
Loa Loa (eye worm)	nuclear receptor nhr-7B	0.0214	0.4592	0.4592
Echinococcus granulosus	nuclear receptor nhr 48	0.0214	0.4592	0.4592
Brugia malayi	Nuclear hormone receptor family member nhr-14	0.0454	1	1
Echinococcus granulosus	ecdysone induced protein 78C	0.0454	1	1
Echinococcus multilocularis	ecdysone induced protein 78C	0.0454	1	1
Brugia malayi	conserved hypotetical protein	0.0214	0.4592	0.4592
Trichomonas vaginalis	voltage and ligand gated potassium channel, putative	0.0034	0.0526	0.5
Schistosoma mansoni	thyroid hormone receptor	0.0454	1	1
Brugia malayi	nuclear receptor NHR-88	0.0454	1	1
Loa Loa (eye worm)	hypothetical protein	0.0214	0.4592	0.4592
Echinococcus granulosus	nuclear receptor 2DBD gamma	0.0454	1	1
Echinococcus granulosus	FTZ F1 alpha	0.0454	1	1
Brugia malayi	Voltage-gated potassium channel, HERG (KCNH2)-related. C. elegans unc-103 ortholog	0.0036	0.0579	0.0579
Echinococcus granulosus	nuclear receptor 2DBD gamma	0.0214	0.4592	0.4592
Brugia malayi	photoreceptor-specific nuclear receptor	0.0454	1	1
Loa Loa (eye worm)	hypothetical protein	0.0031	0.0472	0.0472
Schistosoma mansoni	ecdysone-induced protein 78c (dr-78)	0.024	0.5171	0.5171
Brugia malayi	Nuclear hormone receptor family member nhr-49	0.0454	1	1
Echinococcus multilocularis	potassium voltage gated channel subfamily H	0.0036	0.0579	0.0579
Loa Loa (eye worm)	nuclear hormone receptor	0.0214	0.4592	0.4592
Loa Loa (eye worm)	hypothetical protein	0.0454	1	1
Echinococcus granulosus	hepatocyte nuclear factor 4 alpha	0.0454	1	1
Echinococcus granulosus	nuclear receptor subfamily 1 group D	0.024	0.5171	0.5171
Schistosoma mansoni	hepatocyte nuclear factor 4-alpha (hnf-4-alpha)	0.0214	0.4592	0.4592
Schistosoma mansoni	nuclear receptor nhr-48	0.0214	0.4592	0.4592
Loa Loa (eye worm)	hypothetical protein	0.024	0.5171	0.5171
Brugia malayi	nuclear receptor RXR	0.024	0.5171	0.5171
Loa Loa (eye worm)	hypothetical protein	0.024	0.5171	0.5171
Schistosoma mansoni	coup transcription factor	0.0454	1	1
Brugia malayi	Nuclear hormone receptor family member nhr-25	0.0454	1	1
Schistosoma mansoni	FTZ-F1 nuclear receptor-like protein	0.0454	1	1
Loa Loa (eye worm)	hypothetical protein	0.0454	1	1
Loa Loa (eye worm)	hypothetical protein	0.0454	1	1
Schistosoma mansoni	retinoic acid receptor RXR	0.0454	1	1
Brugia malayi	nuclear hormone receptor family member nhr-6	0.0214	0.4592	0.4592
Loa Loa (eye worm)	hypothetical protein	0.0454	1	1
Echinococcus multilocularis	hepatocyte nuclear factor 4 alpha	0.0454	1	1
Echinococcus multilocularis	nuclear receptor 2DBD gamma	0.0454	1	1
Loa Loa (eye worm)	hypothetical protein	0.0214	0.4592	0.4592
Brugia malayi	Ligand-binding domain of nuclear hormone receptor family protein	0.0454	1	1
Loa Loa (eye worm)	hypothetical protein	0.0214	0.4592	0.4592
Schistosoma mansoni	RAR-like nuclear receptor	0.0454	1	1
Echinococcus multilocularis	COUP TF:Svp nuclear hormone receptor	0.0454	1	1
Echinococcus multilocularis	nuclear receptor nhr 48	0.0214	0.4592	0.4592
Loa Loa (eye worm)	nuclear hormone receptor family member nhr-31	0.0454	1	1
Echinococcus multilocularis	Nuclear hormone receptor family member nhr 41	0.0454	1	1
Echinococcus multilocularis	Nuclear hormone receptor HR96	0.0214	0.4592	0.4592
Brugia malayi	ecdysone receptor	0.0214	0.4592	0.4592
Brugia malayi	nuclear receptor NHR-88	0.0214	0.4592	0.4592
Brugia malayi	Nuclear hormone receptor family member nhr-41	0.0454	1	1
Brugia malayi	Nuclear hormone receptor family member nhr-1	0.0454	1	1
Echinococcus granulosus	Nuclear hormone receptor HR96	0.0214	0.4592	0.4592
Echinococcus multilocularis	retinoic acid receptor rxr beta a retinoic acid receptor rxr alpha a retinoic acid receptor rxr alpha	0.0214	0.4592	0.4592
Brugia malayi	Nuclear hormone receptor family member nhr-40	0.0454	1	1
Onchocerca volvulus		0.0454	1	1
Brugia malayi	Nuclear hormone receptor-like 1	0.024	0.5171	0.5171
Brugia malayi	tailless protein	0.0214	0.4592	0.4592
Loa Loa (eye worm)	nuclear hormone receptor family member nhr-49	0.0454	1	1
Schistosoma mansoni	nuclear hormone receptor	0.0214	0.4592	0.4592
Schistosoma mansoni	thyroid hormone receptor	0.0454	1	1
Brugia malayi	hypothetical protein	0.0214	0.4592	0.4592
Brugia malayi	Ligand-binding domain of nuclear hormone receptor family protein	0.0454	1	1
Echinococcus granulosus	Nuclear hormone receptor family member nhr 41	0.0454	1	1
Echinococcus multilocularis	nuclear receptor 2DBD gamma	0.0454	1	1
Schistosoma mansoni	nuclear hormone receptor nor-1/nor-2	0.0454	1	1
Brugia malayi	nuclear hormone receptor	0.0454	1	1
Loa Loa (eye worm)	hypothetical protein	0.0214	0.4592	0.4592
Loa Loa (eye worm)	hypothetical protein	0.0454	1	1
Brugia malayi	Nuclear hormone receptor-like 1	0.0454	1	1
Loa Loa (eye worm)	hypothetical protein	0.0454	1	1
Loa Loa (eye worm)	hypothetical protein	0.0454	1	1
Brugia malayi	Steroid receptor seven-up type 2	0.0454	1	1
Schistosoma mansoni	nuclear receptor 2DBD-gamma	0.0454	1	1
Loa Loa (eye worm)	hypothetical protein	0.0454	1	1
Loa Loa (eye worm)	hypothetical protein	0.0214	0.4592	0.4592
Brugia malayi	nuclear hormone receptor family member odr-7	0.0214	0.4592	0.4592
Echinococcus granulosus	thyroid hormone receptor alpha	0.0214	0.4592	0.4592
Echinococcus multilocularis	thyroid hormone receptor alpha	0.0454	1	1

Activities

Activity type	Activity value	Assay description	Source	Reference
Increase (functional)	= 6.5 %	Antimalarial activity expressed as increase in mean survival time at a dose of 160 mg/kg against plasmodium berghei in ICR/HA swiss mice; active	ChEMBL.	6754934
No. of cures (functional)	= 1	Antimalarial activity of the compound at a dose of 40 mg/kg against plasmodium berghei in ICR/HA swiss mice; value given as 1/5	ChEMBL.	6754934
T/C (functional)	= 164 %	Antitumor activity expressed as the ratio of treated to that of control (T/C,%) measured against leukemia P388 in mouse at a dose 6.25 mg/kg	ChEMBL.	6754934
T/C (functional)	= 178 %	Antitumor activity expressed as the ratio of treated to that of control (T/C,%) measured against leukemia P388 in mouse at a dose of 25 mg/kg	ChEMBL.	6754934
T/C (functional)	= 178 %	Antitumor activity expressed as the ratio of treated to that of control (T/C,%) measured against leukemia P388 in mouse at a dose of 12.5 mg/kg	ChEMBL.	6754934
Toxic (functional)	= 4	Antimalarial activity of the compound at a dose of 640 mg/kg against plasmodium berghei in ICR/HA swiss mice; value given as 4/5	ChEMBL.	6754934
Weight change (functional)	= -2.9 %	Antitumor activity expressed as weight difference in % of treated-control(T-C) measured against leukemia P388 in mouse at a dose of 25 mg/kg	ChEMBL.	6754934
Weight change (functional)	= -2.2 %	Antitumor activity expressed as weight difference in % of treated-control(T-C) measured against leukemia P388 in mouse at a dose of 12.5 mg/kg.	ChEMBL.	6754934
Weight change (functional)	= -1.5 %	Antitumor activity expressed as weight difference in % of treated-control(T-C) measured against leukemia P388 in mouse at a dose of 6.25 mg/kg	ChEMBL.	6754934

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: 128306

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 27760