TDR Targets

Basic information

Technical information

Name: Unnamed compound
MW: 446.275 | Formula: C16H32Cl2CoN2O4
H donors: 0 H acceptors: 0 LogP: 3.69 Rotable bonds: 4
Rule of 5 violations (Lipinski): 1
SMILES: ClCCN1CCN([Co]231(OC(C)C[C@H](O2)C)OC(C)C[C@H](O3)C)CCCl
InChi: 1S/C6H12Cl2N2.2C5H10O2.Co/c7-1-3-9-5-6-10-4-2-8;2*1-4(6)3-5(2)7;/h1-6H2;2*4-5H,3H2,1-2H3;/q3*-2;+6/t;2*4-,5?;/m.00./s1
InChiKey: KYXDHAWIPANHMA-JBTBUXEDSA-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
Loa Loa (eye worm)	DR-78	0.0035	0.011	0.011
Brugia malayi	Steroid receptor seven-up type 2	0.0075	0.1079	0.1079
Loa Loa (eye worm)	hypothetical protein	0.0075	0.1079	0.1079
Brugia malayi	Nuclear hormone receptor family member nhr-19	0.0075	0.1079	0.1079
Trypanosoma brucei	DNA polymerase kappa, putative	0.0041	0.0242	0.2858
Loa Loa (eye worm)	nuclear hormone receptor family member nhr-1	0.0075	0.1079	0.1079
Trypanosoma brucei	DNA polymerase IV, putative	0.0041	0.0242	0.2858
Echinococcus multilocularis	jun protein	0.0086	0.1347	0.1701
Echinococcus granulosus	COUP TF:Svp nuclear hormone receptor	0.0075	0.1079	0.1782
Loa Loa (eye worm)	hypothetical protein	0.0035	0.011	0.011
Brugia malayi	tailless protein	0.0035	0.011	0.011
Loa Loa (eye worm)	hypothetical protein	0.0075	0.1079	0.1079
Echinococcus granulosus	Mitotic checkpoint protein PRCC C terminal	0.0257	0.5548	1
Trypanosoma cruzi	tyrosyl-DNA Phosphodiesterase (Tdp1), putative	0.0065	0.0848	1
Schistosoma mansoni	ecdysone-induced protein 78c (dr-78)	0.004	0.0214	0.0143
Echinococcus multilocularis	nuclear receptor 2DBD gamma	0.0075	0.1079	0.1333
Echinococcus granulosus	hepatocyte nuclear factor 4 alpha	0.0075	0.1079	0.1782
Brugia malayi	Nuclear hormone receptor family member nhr-25	0.0075	0.1079	0.1079
Echinococcus multilocularis	nuclear receptor subfamily 1 group D	0.004	0.0214	0.0143
Trypanosoma brucei	unspecified product	0.0034	0.0082	0.0969
Schistosoma mansoni	RAR-like nuclear receptor	0.0075	0.1079	0.1333
Brugia malayi	nuclear receptor NHR-88	0.0075	0.1079	0.1079
Trypanosoma brucei	DNA polymerase kappa, putative	0.0041	0.0242	0.2858
Schistosoma mansoni	FTZ-F1 nuclear receptor-like protein	0.0075	0.1079	0.1333
Brugia malayi	Nuclear hormone receptor E75	0.0035	0.011	0.011
Schistosoma mansoni	thyroid hormone receptor	0.0332	0.7382	1
Brugia malayi	nuclear receptor NHR-88	0.0035	0.011	0.011
Onchocerca volvulus		0.0067	0.0896	0.0794
Brugia malayi	Nuclear hormone receptor-like 1	0.004	0.0214	0.0214
Trypanosoma brucei	DNA polymerase kappa, putative	0.0041	0.0242	0.2858
Brugia malayi	nuclear hormone receptor family member nhr-6	0.0035	0.011	0.011
Loa Loa (eye worm)	tyrosyl-DNA phosphodiesterase	0.0065	0.0848	0.0848
Trypanosoma brucei	DNA polymerase kappa, putative	0.0041	0.0242	0.2858
Echinococcus multilocularis	COUP TF:Svp nuclear hormone receptor	0.0075	0.1079	0.1333
Echinococcus granulosus	tyrosyl DNA phosphodiesterase 1	0.0065	0.0848	0.1357
Brugia malayi	Nuclear hormone receptor E75	0.0035	0.011	0.011
Echinococcus multilocularis	ecdysone induced protein 78C	0.0075	0.1079	0.1333
Loa Loa (eye worm)	hypothetical protein	0.004	0.0214	0.0214
Echinococcus multilocularis	FTZ F1 alpha	0.0075	0.1079	0.1333
Schistosoma mansoni	tyrosyl-DNA phosphodiesterase	0.0065	0.0848	0.1014
Schistosoma mansoni	nuclear hormone receptor nor-1/nor-2	0.0075	0.1079	0.1333
Loa Loa (eye worm)	hypothetical protein	0.004	0.0214	0.0214
Trypanosoma brucei	DNA polymerase IV, putative	0.0041	0.0242	0.2858
Brugia malayi	Nuclear hormone receptor family member nhr-49	0.0075	0.1079	0.1079
Brugia malayi	Nuclear hormone receptor family member nhr-19	0.0075	0.1079	0.1079
Loa Loa (eye worm)	hypothetical protein	0.0035	0.011	0.011
Loa Loa (eye worm)	hypothetical protein	0.0075	0.1079	0.1079
Brugia malayi	hypothetical protein	0.004	0.0214	0.0214
Brugia malayi	photoreceptor-specific nuclear receptor	0.0075	0.1079	0.1079
Echinococcus multilocularis	FTZ F1 nuclear receptor protein	0.0075	0.1079	0.1333
Loa Loa (eye worm)	hypothetical protein	0.004	0.0214	0.0214
Loa Loa (eye worm)	hypothetical protein	0.0075	0.1079	0.1079
Loa Loa (eye worm)	runx1	0.0055	0.0594	0.0594
Schistosoma mansoni	nuclear hormone receptor	0.0075	0.1079	0.1333
Echinococcus multilocularis	Protein lozenge	0.0055	0.0594	0.0665
Loa Loa (eye worm)	hypothetical protein	0.0075	0.1079	0.1079
Brugia malayi	nuclear hormone receptor	0.0035	0.011	0.011
Trichomonas vaginalis	DNA polymerase IV / kappa, putative	0.0041	0.0242	0.5
Loa Loa (eye worm)	nuclear hormone receptor family member nhr-40	0.0075	0.1079	0.1079
Brugia malayi	hypothetical protein	0.0035	0.011	0.011
Brugia malayi	bZIP transcription factor family protein	0.0086	0.1347	0.1347
Echinococcus multilocularis	Mitotic checkpoint protein PRCC, C terminal	0.0257	0.5548	0.7478
Loa Loa (eye worm)	hypothetical protein	0.0035	0.011	0.011
Loa Loa (eye worm)	nuclear hormone receptor	0.0035	0.011	0.011
Schistosoma mansoni	thyroid hormone receptor	0.0332	0.7382	1
Brugia malayi	nuclear hormone receptor	0.0075	0.1079	0.1079
Brugia malayi	Nuclear hormone receptor family member nhr-14	0.0075	0.1079	0.1079
Loa Loa (eye worm)	hypothetical protein	0.0035	0.011	0.011
Brugia malayi	Nuclear hormone receptor family member nhr-41	0.0075	0.1079	0.1079
Schistosoma mansoni	photoreceptor-specific nuclear receptor related	0.0075	0.1079	0.1333
Echinococcus granulosus	FTZ F1 nuclear receptor protein	0.0075	0.1079	0.1782
Brugia malayi	hypothetical protein	0.004	0.0214	0.0214
Loa Loa (eye worm)	nuclear Hormone Receptor family member	0.0075	0.1079	0.1079
Brugia malayi	Ligand-binding domain of nuclear hormone receptor family protein	0.0075	0.1079	0.1079
Loa Loa (eye worm)	hypothetical protein	0.0035	0.011	0.011
Brugia malayi	Nuclear hormone receptor family member nhr-31	0.0075	0.1079	0.1079
Loa Loa (eye worm)	nuclear hormone receptor family member nhr-49	0.0075	0.1079	0.1079
Schistosoma mansoni	retinoid-x-receptor (RXR)	0.004	0.0214	0.0143
Schistosoma mansoni	lozenge	0.0055	0.0594	0.0665
Loa Loa (eye worm)	hypothetical protein	0.0035	0.011	0.011
Echinococcus granulosus	nuclear receptor 2DBD gamma	0.0075	0.1079	0.1782
Echinococcus granulosus	retinoic acid receptor rxr beta a	0.0175	0.3547	0.632
Loa Loa (eye worm)	hypothetical protein	0.0035	0.011	0.011
Brugia malayi	Nuclear hormone receptor family member nhr-1	0.0075	0.1079	0.1079
Loa Loa (eye worm)	hypothetical protein	0.0035	0.011	0.011
Echinococcus multilocularis	Nuclear hormone receptor family member nhr 41	0.0075	0.1079	0.1333
Loa Loa (eye worm)	hypothetical protein	0.0075	0.1079	0.1079
Trypanosoma brucei	DNA polymerase IV, putative	0.0034	0.0082	0.0969
Loa Loa (eye worm)	nuclear hormone receptor family member nhr-14	0.0075	0.1079	0.1079
Loa Loa (eye worm)	hypothetical protein	0.0035	0.011	0.011
Echinococcus granulosus	nuclear receptor 2DBD gamma	0.0075	0.1079	0.1782
Schistosoma mansoni	Tr4/Tr2 (homologue)	0.0075	0.1079	0.1333
Echinococcus multilocularis	retinoic acid receptor rxr beta a retinoic acid receptor rxr alpha a retinoic acid receptor rxr alpha	0.0136	0.2578	0.3394
Trypanosoma brucei	DNA polymerase kappa, putative	0.0041	0.0242	0.2858
Brugia malayi	nuclear hormone receptor family member odr-7	0.0035	0.011	0.011
Echinococcus multilocularis	nuclear receptor 2DBD gamma	0.0075	0.1079	0.1333
Echinococcus granulosus	ecdysone induced protein 78C	0.0075	0.1079	0.1782
Brugia malayi	hypothetical protein	0.0035	0.011	0.011
Schistosoma mansoni	jun-related protein	0.007	0.0954	0.1159
Onchocerca volvulus		0.0439	1	1
Onchocerca volvulus	Protein ultraspiracle homolog	0.0075	0.1079	0.098
Echinococcus granulosus	dna polymerase kappa	0.0041	0.0242	0.0243
Entamoeba histolytica	tyrosyl-DNA phosphodiesterase, putative	0.0065	0.0848	0.5
Loa Loa (eye worm)	nuclear receptor NHR-67	0.0035	0.011	0.011
Brugia malayi	Tyrosyl-DNA phosphodiesterase family protein	0.0065	0.0848	0.0848
Trypanosoma brucei	DNA polymerase kappa, putative	0.0041	0.0242	0.2858
Brugia malayi	nuclear receptor subfamily 1, group D, member 1, putative	0.0035	0.011	0.011
Echinococcus granulosus	FTZ F1 alpha	0.0075	0.1079	0.1782
Echinococcus granulosus	transcription factor Dp 1	0.0038	0.0173	0.0115
Loa Loa (eye worm)	hypothetical protein	0.0439	1	1
Trypanosoma brucei	DNA polymerase kappa, putative	0.0041	0.0242	0.2858
Trypanosoma cruzi	tyrosyl-DNA Phosphodiesterase (Tdp1), putative	0.0065	0.0848	1
Trypanosoma brucei	tyrosyl-DNA Phosphodiesterase (Tdp1), putative	0.0065	0.0848	1
Loa Loa (eye worm)	hypothetical protein	0.004	0.0214	0.0214
Loa Loa (eye worm)	hypothetical protein	0.0439	1	1
Loa Loa (eye worm)	steroid hormone receptor	0.0075	0.1079	0.1079
Brugia malayi	nuclear receptor RXR	0.0035	0.011	0.011
Brugia malayi	Nuclear hormone receptor-like 1	0.004	0.0214	0.0214
Brugia malayi	ecdysone receptor	0.0035	0.011	0.011
Schistosoma mansoni	steroid hormone receptor ad4bp	0.0075	0.1079	0.1333
Schistosoma mansoni	hypothetical protein	0.007	0.0954	0.1159
Echinococcus granulosus	nuclear receptor subfamily 1 group D	0.004	0.0214	0.0191
Schistosoma mansoni	hypothetical protein	0.0257	0.5548	0.7478
Echinococcus granulosus	Basic leucine zipper bZIP transcription factor	0.0086	0.1347	0.2275
Echinococcus multilocularis	hepatocyte nuclear factor 4 alpha	0.0075	0.1079	0.1333
Brugia malayi	hypothetical protein	0.0067	0.0896	0.0896
Echinococcus granulosus	Nuclear hormone receptor family member nhr 41	0.0075	0.1079	0.1782
Mycobacterium ulcerans	DNA polymerase IV	0.0041	0.0242	0.5
Loa Loa (eye worm)	nuclear hormone receptor family member nhr-31	0.0075	0.1079	0.1079
Brugia malayi	orphan nuclear receptor NR2E1	0.0035	0.011	0.011
Loa Loa (eye worm)	nuclear hormone receptor-like 1	0.004	0.0214	0.0214
Trypanosoma brucei	DNA polymerase kappa, putative	0.0041	0.0242	0.2858
Echinococcus multilocularis	thyroid hormone receptor alpha	0.0332	0.7382	1
Onchocerca volvulus		0.0075	0.1079	0.098
Loa Loa (eye worm)	hypothetical protein	0.004	0.0214	0.0214
Mycobacterium ulcerans	DNA polymerase IV	0.0041	0.0242	0.5
Echinococcus granulosus	jun protein	0.0086	0.1347	0.2275
Loa Loa (eye worm)	nuclear hormone receptor family member nhr-41	0.0075	0.1079	0.1079
Onchocerca volvulus	Bile acid receptor homolog	0.0075	0.1079	0.098
Schistosoma mansoni	retinoid-x-receptor (RXR)	0.0075	0.1079	0.1333
Loa Loa (eye worm)	hypothetical protein	0.0075	0.1079	0.1079
Brugia malayi	conserved hypotetical protein	0.0035	0.011	0.011
Brugia malayi	Ligand-binding domain of nuclear hormone receptor family protein	0.0075	0.1079	0.1079
Loa Loa (eye worm)	hypothetical protein	0.0035	0.011	0.011
Loa Loa (eye worm)	hypothetical protein	0.0035	0.011	0.011
Echinococcus multilocularis	tyrosyl DNA phosphodiesterase 1	0.0065	0.0848	0.1014
Schistosoma mansoni	nuclear receptor 2DBD-gamma	0.0075	0.1079	0.1333
Loa Loa (eye worm)	hypothetical protein	0.0035	0.011	0.011
Brugia malayi	ecdysteroid receptor	0.0075	0.1079	0.1079
Loa Loa (eye worm)	hypothetical protein	0.0075	0.1079	0.1079
Brugia malayi	nuclear receptor NHR-67	0.0035	0.011	0.011
Loa Loa (eye worm)	hypothetical protein	0.0083	0.129	0.129
Loa Loa (eye worm)	hypothetical protein	0.0035	0.011	0.011
Echinococcus multilocularis	transcription factor Dp 1	0.0038	0.0173	0.0086
Brugia malayi	Nuclear hormone receptor family member nhr-40	0.0075	0.1079	0.1079
Echinococcus multilocularis	dna polymerase kappa	0.0041	0.0242	0.0181
Brugia malayi	Nuclear hormone receptor-like 1	0.0075	0.1079	0.1079
Trypanosoma brucei	DNA polymerase kappa, putative	0.0041	0.0242	0.2858
Brugia malayi	steroid hormone receptor	0.0075	0.1079	0.1079
Onchocerca volvulus	Steroid hormone receptor family member cnr14 homolog	0.0075	0.1079	0.098
Brugia malayi	nuclear receptor RXR	0.004	0.0214	0.0214
Loa Loa (eye worm)	nuclear receptor nhr-7B	0.0035	0.011	0.011
Schistosoma mansoni	coup transcription factor	0.0075	0.1079	0.1333
Leishmania major	tyrosyl-DNA phosphodiesterase 1	0.0065	0.0848	0.5
Brugia malayi	Nuclear hormone receptor family member nhr-25	0.0075	0.1079	0.1079
Trichomonas vaginalis	DNA polymerase eta, putative	0.0041	0.0242	0.5
Brugia malayi	Nuclear hormone receptor family member nhr-3	0.0075	0.1079	0.1079
Echinococcus multilocularis	Basic leucine zipper (bZIP) transcription factor	0.0086	0.1347	0.1701
Schistosoma mansoni	retinoic acid receptor RXR	0.0175	0.3547	0.4726

Activities

Activity type	Activity value	Assay description	Source	Reference
CT10 (functional)	= 21500 uM h	Cytotoxicity was measured for 90% kill in UV4 cells under aerobic conditions	ChEMBL.	8515422
HF ratio (functional)	= 14	Hypersensitivity factor is the ratio of IC50(AA8) to IC50(UV4) under aerobic conditions	ChEMBL.	8515422
IC50 (functional)	= 890 uM	Growth inhibition against CHO-derived cell line AA8	ChEMBL.	8515422
Ratio (functional)	= 1.6	Ratio of aerobic CT10 to that of hypoxic CT10	ChEMBL.	8515422

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: 181964

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 80569