TDR Targets

Basic information

Technical information

Name: Unnamed compound
MW: 468.779 | Formula: C15H18Cl2CuN4O5
H donors: 3 H acceptors: 3 LogP: -0.3 Rotable bonds: 4
Rule of 5 violations (Lipinski): 1
SMILES: COC1[C@@H](N)Cn2c1c(COC(=O)N)c1c2C(=O)C(=C(C1=O)N)C.Cl[Cu]Cl
InChi: 1S/C15H18N4O5.2ClH.Cu/c1-5-9(17)13(21)8-6(4-24-15(18)22)10-14(23-2)7(16)3-19(10)11(8)12(5)20;;;/h7,14H,3-4,16-17H2,1-2H3,(H2,18,22);2*1H;/q;;;+2/p-2/t7-,14?;;;/m1.../s1
InChiKey: LFUGVNJSRFMEFR-LLXDWFJCSA-L

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
Echinococcus multilocularis	GPCR, family 2	0.0032	0.1587	0.2441
Onchocerca volvulus	Steroid hormone receptor family member cnr14 homolog	0.0083	0.6501	1
Toxoplasma gondii	isocitrate dehydrogenase	0.0016	0	0.5
Echinococcus multilocularis	cadherin EGF LAG seven pass G type receptor	0.0032	0.1587	0.2441
Loa Loa (eye worm)	nuclear hormone receptor family member nhr-14	0.0083	0.6501	0.6501
Loa Loa (eye worm)	hypothetical protein	0.0039	0.2261	0.2261
Echinococcus multilocularis	COUP TF:Svp nuclear hormone receptor	0.0083	0.6501	1
Schistosoma mansoni	coup transcription factor	0.0083	0.6501	1
Schistosoma mansoni	Tr4/Tr2 (homologue)	0.0083	0.6501	1
Echinococcus multilocularis	nuclear receptor subfamily 4 group A	0.0039	0.2261	0.3478
Loa Loa (eye worm)	hypothetical protein	0.0044	0.2715	0.2715
Brugia malayi	Nuclear hormone receptor family member nhr-1	0.0083	0.6501	0.6501
Loa Loa (eye worm)	MH2 domain-containing protein	0.0119	1	1
Brugia malayi	tailless protein	0.0039	0.2261	0.2261
Loa Loa (eye worm)	hypothetical protein	0.0044	0.2715	0.2715
Echinococcus granulosus	ecdysone induced protein 78C	0.0083	0.6501	1
Loa Loa (eye worm)	hypothetical protein	0.0039	0.2261	0.2261
Schistosoma mansoni	nuclear hormone receptor	0.0083	0.6501	1
Echinococcus multilocularis	nuclear receptor nhr 48	0.0039	0.2261	0.3478
Loa Loa (eye worm)	hypothetical protein	0.0039	0.2261	0.2261
Brugia malayi	hypothetical protein	0.0039	0.2261	0.2261
Trypanosoma brucei	isocitrate dehydrogenase, putative	0.0016	0	0.5
Loa Loa (eye worm)	hypothetical protein	0.0039	0.2261	0.2261
Brugia malayi	nuclear receptor RXR	0.0039	0.2261	0.2261
Loa Loa (eye worm)	transcription factor SMAD2	0.0119	1	1
Echinococcus multilocularis	Nuclear hormone receptor HR96	0.0039	0.2261	0.3478
Loa Loa (eye worm)	nuclear receptor NHR-67	0.0039	0.2261	0.2261
Onchocerca volvulus		0.0083	0.6501	1
Echinococcus granulosus	nuclear receptor subfamily 4 group A	0.0039	0.2261	0.3478
Loa Loa (eye worm)	hypothetical protein	0.0101	0.8311	0.8311
Brugia malayi	hypothetical protein	0.0044	0.2715	0.2715
Echinococcus granulosus	nuclear receptor subfamily 1 group D	0.0044	0.2715	0.4176
Echinococcus granulosus	FTZ F1 nuclear receptor protein	0.0083	0.6501	1
Brugia malayi	Steroid receptor seven-up type 2	0.0083	0.6501	0.6501
Echinococcus granulosus	retinoic acid receptor rxr beta a	0.0083	0.6501	1
Schistosoma mansoni	nuclear receptor	0.0039	0.2261	0.3478
Loa Loa (eye worm)	hypothetical protein	0.0044	0.2715	0.2715
Brugia malayi	calcium-independent alpha-latrotoxin receptor 2, putative	0.0032	0.1587	0.1587
Loa Loa (eye worm)	nuclear hormone receptor family member nhr-41	0.0083	0.6501	0.6501
Schistosoma mansoni	nuclear receptor	0.0039	0.2261	0.3478
Loa Loa (eye worm)	hypothetical protein	0.0039	0.2261	0.2261
Loa Loa (eye worm)	hypothetical protein	0.0083	0.6501	0.6501
Echinococcus multilocularis	retinoic acid receptor rxr beta a retinoic acid receptor rxr alpha a retinoic acid receptor rxr alpha	0.0039	0.2261	0.3478
Loa Loa (eye worm)	nuclear Hormone Receptor family member	0.0083	0.6501	0.6501
Brugia malayi	Corticotropin releasing factor receptor 2 precursor, putative	0.0101	0.8311	0.8311
Plasmodium vivax	isocitrate dehydrogenase [NADP], mitochondrial, putative	0.0016	0	0.5
Brugia malayi	nuclear hormone receptor family member odr-7	0.0039	0.2261	0.2261
Brugia malayi	ecdysteroid receptor	0.0083	0.6501	0.6501
Brugia malayi	hypothetical protein	0.0044	0.2715	0.2715
Loa Loa (eye worm)	hypothetical protein	0.0083	0.6501	0.6501
Brugia malayi	orphan nuclear receptor NR2E1	0.0039	0.2261	0.2261
Echinococcus multilocularis	nuclear receptor 2DBD gamma	0.0039	0.2261	0.3478
Brugia malayi	Nuclear hormone receptor family member nhr-3	0.0083	0.6501	0.6501
Schistosoma mansoni	hypothetical protein	0.0032	0.1587	0.2441
Plasmodium falciparum	isocitrate dehydrogenase [NADP], mitochondrial	0.0016	0	0.5
Loa Loa (eye worm)	hypothetical protein	0.0069	0.5199	0.5199
Brugia malayi	nuclear hormone receptor family member nhr-6	0.0039	0.2261	0.2261
Echinococcus granulosus	nuclear receptor 2DBD gamma	0.0083	0.6501	1
Echinococcus granulosus	FTZ F1 alpha	0.0083	0.6501	1
Echinococcus granulosus	cadherin EGF LAG seven pass G type receptor	0.0032	0.1587	0.2441
Loa Loa (eye worm)	hypothetical protein	0.0039	0.2261	0.2261
Schistosoma mansoni	thyroid hormone receptor	0.0083	0.6501	1
Loa Loa (eye worm)	hypothetical protein	0.0039	0.2261	0.2261
Echinococcus multilocularis	diuretic hormone 44 receptor GPRdih2	0.0032	0.1587	0.2441
Brugia malayi	Nuclear hormone receptor family member nhr-19	0.0083	0.6501	0.6501
Loa Loa (eye worm)	hypothetical protein	0.0032	0.1587	0.1587
Brugia malayi	nuclear receptor NHR-88	0.0083	0.6501	0.6501
Brugia malayi	Nuclear hormone receptor family member nhr-31	0.0083	0.6501	0.6501
Loa Loa (eye worm)	nuclear receptor nhr-7B	0.0039	0.2261	0.2261
Brugia malayi	photoreceptor-specific nuclear receptor	0.0083	0.6501	0.6501
Schistosoma mansoni	hypothetical protein	0.0069	0.5199	0.7996
Brugia malayi	nuclear receptor NHR-88	0.0039	0.2261	0.2261
Loa Loa (eye worm)	hypothetical protein	0.0039	0.2261	0.2261
Loa Loa (eye worm)	nuclear hormone receptor family member nhr-49	0.0083	0.6501	0.6501
Loa Loa (eye worm)	hypothetical protein	0.0044	0.2715	0.2715
Schistosoma mansoni	RAR-like nuclear receptor	0.0083	0.6501	1
Schistosoma mansoni	hypothetical protein	0.0032	0.1587	0.2441
Schistosoma mansoni	hepatocyte nuclear factor 4-alpha (hnf-4-alpha)	0.0039	0.2261	0.3478
Brugia malayi	Ligand-binding domain of nuclear hormone receptor family protein	0.0083	0.6501	0.6501
Loa Loa (eye worm)	steroid hormone receptor	0.0083	0.6501	0.6501
Echinococcus multilocularis	nuclear receptor 2DBD gamma	0.0083	0.6501	1
Brugia malayi	Nuclear hormone receptor-like 1	0.0083	0.6501	0.6501
Brugia malayi	Nuclear hormone receptor family member nhr-14	0.0083	0.6501	0.6501
Loa Loa (eye worm)	hypothetical protein	0.0039	0.2261	0.2261
Brugia malayi	Nuclear hormone receptor family member nhr-40	0.0083	0.6501	0.6501
Brugia malayi	latrophilin 2 splice variant baaae	0.0069	0.5199	0.5199
Loa Loa (eye worm)	hypothetical protein	0.0083	0.6501	0.6501
Brugia malayi	nuclear hormone receptor	0.0039	0.2261	0.2261
Loa Loa (eye worm)	nuclear hormone receptor-like 1	0.0044	0.2715	0.2715
Mycobacterium tuberculosis	Probable isocitrate dehydrogenase [NADP] Icd1 (oxalosuccinate decarboxylase) (IDH) (NADP+-specific ICDH) (IDP)	0.0016	0	0.5
Brugia malayi	hypothetical protein	0.0039	0.2261	0.2261
Echinococcus granulosus	hepatocyte nuclear factor 4 alpha	0.0083	0.6501	1
Leishmania major	isocitrate dehydrogenase [NADP], mitochondrial precursor, putative	0.0016	0	0.5
Echinococcus granulosus	nuclear receptor 2DBD gamma	0.0083	0.6501	1
Brugia malayi	conserved hypotetical protein	0.0039	0.2261	0.2261
Echinococcus multilocularis	FTZ F1 nuclear receptor protein	0.0083	0.6501	1
Toxoplasma gondii	isocitrate dehydrogenase	0.0016	0	0.5
Echinococcus granulosus	nuclear receptor nhr 48	0.0039	0.2261	0.3478
Loa Loa (eye worm)	nuclear hormone receptor family member nhr-31	0.0083	0.6501	0.6501
Echinococcus granulosus	COUP TF:Svp nuclear hormone receptor	0.0083	0.6501	1
Schistosoma mansoni	nuclear hormone receptor superfamily protein-related	0.0039	0.2261	0.3478
Schistosoma mansoni	nuclear receptor 2DBD-gamma	0.0083	0.6501	1
Brugia malayi	Nuclear hormone receptor-like 1	0.0044	0.2715	0.2715
Brugia malayi	Nuclear hormone receptor family member nhr-49	0.0083	0.6501	0.6501
Loa Loa (eye worm)	nuclear hormone receptor family member nhr-40	0.0083	0.6501	0.6501
Schistosoma mansoni	thyroid hormone receptor	0.0083	0.6501	1
Loa Loa (eye worm)	DR-78	0.0039	0.2261	0.2261
Echinococcus multilocularis	FTZ F1 alpha	0.0083	0.6501	1
Loa Loa (eye worm)	pigment dispersing factor receptor c	0.0101	0.8311	0.8311
Brugia malayi	nuclear receptor subfamily 1, group D, member 1, putative	0.0039	0.2261	0.2261
Brugia malayi	Nuclear hormone receptor-like 1	0.0044	0.2715	0.2715
Echinococcus granulosus	diuretic hormone 44 receptor GPRdih2	0.0032	0.1587	0.2441
Brugia malayi	nuclear hormone receptor	0.0083	0.6501	0.6501
Brugia malayi	Nuclear hormone receptor E75	0.0039	0.2261	0.2261
Brugia malayi	Nuclear hormone receptor E75	0.0039	0.2261	0.2261
Loa Loa (eye worm)	hypothetical protein	0.0044	0.2715	0.2715
Loa Loa (eye worm)	hypothetical protein	0.0039	0.2261	0.2261
Echinococcus granulosus	thyroid hormone receptor alpha	0.0039	0.2261	0.3478
Echinococcus multilocularis	hepatocyte nuclear factor 4 alpha	0.0083	0.6501	1
Echinococcus granulosus	nuclear receptor 2DBD gamma	0.0039	0.2261	0.3478
Trypanosoma cruzi	isocitrate dehydrogenase [NADP], mitochondrial precursor, putative	0.0016	0	0.5
Echinococcus multilocularis	nuclear receptor 2DBD gamma	0.0083	0.6501	1
Brugia malayi	nuclear receptor RXR	0.0044	0.2715	0.2715
Echinococcus multilocularis	Nuclear hormone receptor HR96	0.0039	0.2261	0.3478
Schistosoma mansoni	nuclear hormone receptor	0.0039	0.2261	0.3478
Schistosoma mansoni	retinoid-x-receptor (RXR)	0.0044	0.2715	0.4176
Brugia malayi	steroid hormone receptor	0.0083	0.6501	0.6501
Loa Loa (eye worm)	hypothetical protein	0.0083	0.6501	0.6501
Loa Loa (eye worm)	hypothetical protein	0.0083	0.6501	0.6501
Schistosoma mansoni	ecdysone-induced protein 78c (dr-78)	0.0044	0.2715	0.4176
Schistosoma mansoni	hypothetical protein	0.0032	0.1587	0.2441
Loa Loa (eye worm)	hypothetical protein	0.0039	0.2261	0.2261
Echinococcus granulosus	Nuclear hormone receptor HR96	0.0039	0.2261	0.3478
Schistosoma mansoni	photoreceptor-specific nuclear receptor related	0.0083	0.6501	1
Echinococcus multilocularis	nuclear receptor subfamily 1 group D	0.0044	0.2715	0.4176
Schistosoma mansoni	retinoic acid receptor RXR	0.0083	0.6501	1
Brugia malayi	ecdysone receptor	0.0039	0.2261	0.2261
Loa Loa (eye worm)	hypothetical protein	0.0083	0.6501	0.6501
Brugia malayi	nuclear receptor NHR-67	0.0039	0.2261	0.2261
Echinococcus multilocularis	Nuclear hormone receptor family member nhr 41	0.0083	0.6501	1
Echinococcus granulosus	Nuclear hormone receptor HR96	0.0039	0.2261	0.3478
Brugia malayi	Nuclear hormone receptor family member nhr-41	0.0083	0.6501	0.6501
Loa Loa (eye worm)	hypothetical protein	0.0039	0.2261	0.2261
Loa Loa (eye worm)	hypothetical protein	0.0039	0.2261	0.2261
Echinococcus multilocularis	ecdysone induced protein 78C	0.0083	0.6501	1
Echinococcus granulosus	GPCR family 2	0.0032	0.1587	0.2441
Loa Loa (eye worm)	hypothetical protein	0.0083	0.6501	0.6501
Brugia malayi	Nuclear hormone receptor family member nhr-19	0.0083	0.6501	0.6501
Brugia malayi	Calcitonin receptor-like protein seb-1	0.0101	0.8311	0.8311
Brugia malayi	Latrophilin receptor protein 2	0.0032	0.1587	0.1587
Schistosoma mansoni	hypothetical protein	0.0032	0.1587	0.2441
Echinococcus granulosus	Nuclear hormone receptor family member nhr 41	0.0083	0.6501	1
Loa Loa (eye worm)	nuclear hormone receptor family member nhr-1	0.0083	0.6501	0.6501
Schistosoma mansoni	retinoid-x-receptor (RXR)	0.0083	0.6501	1
Schistosoma mansoni	nuclear receptor nhr-48	0.0039	0.2261	0.3478
Schistosoma mansoni	steroid hormone receptor ad4bp	0.0083	0.6501	1
Schistosoma mansoni	nuclear hormone receptor nor-1/nor-2	0.0083	0.6501	1
Brugia malayi	Nuclear hormone receptor family member nhr-25	0.0083	0.6501	0.6501
Echinococcus multilocularis	thyroid hormone receptor alpha	0.0083	0.6501	1
Loa Loa (eye worm)	latrophilin receptor protein 2	0.0032	0.1587	0.1587
Schistosoma mansoni	FTZ-F1 nuclear receptor-like protein	0.0083	0.6501	1
Trypanosoma cruzi	isocitrate dehydrogenase, putative	0.0016	0	0.5
Loa Loa (eye worm)	nuclear hormone receptor	0.0039	0.2261	0.2261
Schistosoma mansoni	nuclear hormone receptor	0.0039	0.2261	0.3478
Loa Loa (eye worm)	hypothetical protein	0.0083	0.6501	0.6501
Onchocerca volvulus	Protein ultraspiracle homolog	0.0083	0.6501	1
Schistosoma mansoni	zinc finger protein	0.0039	0.2261	0.3478
Brugia malayi	Nuclear hormone receptor family member nhr-25	0.0083	0.6501	0.6501
Onchocerca volvulus	Bile acid receptor homolog	0.0083	0.6501	1
Trypanosoma brucei	isocitrate dehydrogenase [NADP], mitochondrial precursor, putative	0.0016	0	0.5
Brugia malayi	Ligand-binding domain of nuclear hormone receptor family protein	0.0083	0.6501	0.6501

Activities

Activity type	Activity value	Assay description	Source	Reference
Activity (functional)	= -3.1 g	Activity of the compound against P-388 murine leukemia cells expressed as average weight change at a dose of 25.6 mg/kg per inj.	ChEMBL.	3079830
Activity (functional)	= 0.3 g	Activity of the compound against P-388 murine leukemia cells expressed as average weight change at a dose of 12.8 mg/kg per inj.	ChEMBL.	3079830
Activity (functional)	= 0.8 g	Activity of the compound against P-388 murine leukemia cells expressed as average weight change at a dose of 6.4 mg/kg per inj.	ChEMBL.	3079830
Activity (functional)	= 0.9 g	Activity of the compound against P-388 murine leukemia cells expressed as average weight change at a dose of 3.2 mg/kg per inj.	ChEMBL.	3079830
MST (functional)	= 0	Activity of the compound against P-388 murine leukemia cells expressed as median survival time (MST treated/MST control) at a dose of 25.6 mg/kg per inj; Toxic	ChEMBL.	3079830
MST (functional)	= 100	Activity of the compound against P-388 murine leukemia cells expressed as median survival time (MST treated/MST control) at a dose of 12.8 mg/kg per inj.	ChEMBL.	3079830
MST (functional)	= 100	Activity of the compound against P-388 murine leukemia cells expressed as median survival time (MST treated/MST control) at a dose of 6.4 mg/kg per inj.	ChEMBL.	3079830
MST (functional)	= 100	Activity of the compound against P-388 murine leukemia cells expressed as median survival time (MST treated/MST control) at a dose of 3.2 mg/kg per inj.	ChEMBL.	3079830
T/C (functional)	= 194 %	Activity of the compound against P-388 murine leukemia cells at a dose of 3.2 mg/kg per inj.	ChEMBL.	3079830

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: 395784

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 311086