TDR Targets

Basic information

Technical information

Name: Unnamed compound
MW: 246.217 | Formula: C9H14N2O6
H donors: 4 H acceptors: 6 LogP: -6.53 Rotable bonds: 5
Rule of 5 violations (Lipinski): 1
SMILES: OC(=O)CCN1C[C@](C[C@@H]1C(=O)O)(N)C(=O)O
InChi: 1S/C9H14N2O6/c10-9(8(16)17)3-5(7(14)15)11(4-9)2-1-6(12)13/h5H,1-4,10H2,(H,12,13)(H,14,15)(H,16,17)/t5-,9-/m1/s1
InChiKey: TVYMBPAAWYMPSJ-MLUIRONXSA-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)	nuclear Hormone Receptor family member	0.0007	0.0005	0.0078
Echinococcus multilocularis	GPCR, family 2	0.0015	0.0135	0.013
Brugia malayi	photoreceptor-specific nuclear receptor	0.0007	0.0005	0.0033
Loa Loa (eye worm)	hypothetical protein	0.0048	0.0677	1
Echinococcus granulosus	kelch ECH associated protein 1	0.0277	0.4436	0.4433
Plasmodium vivax	replication protein A1, large subunit, putative	0.0017	0.0158	0.5
Trypanosoma cruzi	DNA repair and recombination helicase protein PIF7, putative	0.0615	1	1
Brugia malayi	hypothetical protein	0.0106	0.1623	1
Brugia malayi	Nuclear hormone receptor-like 1	0.0007	0.0005	0.0033
Entamoeba histolytica	hypothetical protein	0.0106	0.1623	0.1513
Brugia malayi	Nuclear hormone receptor family member nhr-49	0.0007	0.0005	0.0033
Loa Loa (eye worm)	hypothetical protein	0.0007	0.0005	0.0078
Brugia malayi	Nuclear hormone receptor family member nhr-19	0.0007	0.0005	0.0033
Leishmania major	PIF1 helicase-like protein, putative,DNA repair and recombination protein, mitochondrial precursor, putative	0.0615	1	1
Loa Loa (eye worm)	hypothetical protein	0.0015	0.0135	0.2001
Leishmania major	PIF1 helicase-like protein, putative,DNA repair and recombination protein, mitochondrial precursor, putative	0.0615	1	1
Brugia malayi	Steroid receptor seven-up type 2	0.0007	0.0005	0.0033
Echinococcus granulosus	diuretic hormone 44 receptor GPRdih2	0.0015	0.0135	0.013
Loa Loa (eye worm)	hypothetical protein	0.0007	0.0005	0.0078
Brugia malayi	Nuclear hormone receptor family member nhr-25	0.0007	0.0005	0.0033
Loa Loa (eye worm)	nuclear hormone receptor family member nhr-41	0.0007	0.0005	0.0078
Entamoeba histolytica	hypothetical protein	0.0106	0.1623	0.1513
Entamoeba histolytica	hypothetical protein	0.0106	0.1623	0.1513
Loa Loa (eye worm)	hypothetical protein	0.0007	0.0005	0.0078
Schistosoma mansoni	transcription factor LCR-F1	0.0106	0.1623	0.1619
Brugia malayi	Nuclear hormone receptor family member nhr-40	0.0007	0.0005	0.0033
Echinococcus granulosus	kelch ECH associated protein 1 like	0.0277	0.4436	0.4433
Brugia malayi	Ligand-binding domain of nuclear hormone receptor family protein	0.0007	0.0005	0.0033
Brugia malayi	nuclear hormone receptor	0.0007	0.0005	0.0033
Brugia malayi	Nuclear hormone receptor family member nhr-25	0.0007	0.0005	0.0033
Brugia malayi	Corticotropin releasing factor receptor 2 precursor, putative	0.0048	0.0677	0.4168
Brugia malayi	latrophilin 2 splice variant baaae	0.0033	0.0426	0.2625
Echinococcus granulosus	cadherin EGF LAG seven pass G type receptor	0.0015	0.0135	0.013
Brugia malayi	Nuclear hormone receptor family member nhr-19	0.0007	0.0005	0.0033
Brugia malayi	Probable ATP-dependent helicase DHX35	0.0039	0.0519	0.3198
Echinococcus multilocularis	kelch ECH associated protein 1	0.0277	0.4436	0.4433
Echinococcus multilocularis	replication protein A 70 kDa DNA binding	0.0035	0.0455	0.045
Brugia malayi	Ligand-binding domain of nuclear hormone receptor family protein	0.0007	0.0005	0.0033
Schistosoma mansoni	hypothetical protein	0.0615	1	1
Onchocerca volvulus	Putative replication factor A 73 kDa subunit	0.0031	0.0395	1
Toxoplasma gondii	replication factor-a protein 1 (rpa1) subfamily protein	0.0017	0.0158	1
Schistosoma mansoni	hypothetical protein	0.0033	0.0426	0.0421
Schistosoma mansoni	hypothetical protein	0.0015	0.0135	0.013
Echinococcus multilocularis	diuretic hormone 44 receptor GPRdih2	0.0015	0.0135	0.013
Loa Loa (eye worm)	DEAH box polypeptide 35	0.0039	0.0519	0.7673
Echinococcus multilocularis	kelch ECH associated protein 1	0.0277	0.4436	0.4433
Loa Loa (eye worm)	nuclear hormone receptor family member nhr-1	0.0007	0.0005	0.0078
Loa Loa (eye worm)	hypothetical protein	0.0007	0.0005	0.0078
Trypanosoma cruzi	DNA repair and recombination helicase protein PIF7, putative	0.0615	1	1
Brugia malayi	Nuclear hormone receptor family member nhr-31	0.0007	0.0005	0.0033
Plasmodium falciparum	replication protein A1, large subunit	0.0017	0.0158	0.5
Schistosoma mansoni	hypothetical protein	0.0015	0.0135	0.013
Brugia malayi	nuclear receptor NHR-88	0.0007	0.0005	0.0033
Echinococcus multilocularis	Basic leucine zipper (bZIP) transcription	0.0106	0.1623	0.1619
Trichomonas vaginalis	conserved hypothetical protein	0.0615	1	1
Entamoeba histolytica	DNA repair and recombination protein, putative	0.0615	1	1
Loa Loa (eye worm)	latrophilin receptor protein 2	0.0015	0.0135	0.2001
Trypanosoma cruzi	DNA repair and recombination helicase protein PIF6, putative	0.0615	1	1
Schistosoma mansoni	hypothetical protein	0.0278	0.4448	0.4446
Brugia malayi	steroid hormone receptor	0.0007	0.0005	0.0033
Loa Loa (eye worm)	hypothetical protein	0.0033	0.0426	0.6298
Loa Loa (eye worm)	nuclear hormone receptor family member nhr-14	0.0007	0.0005	0.0078
Echinococcus granulosus	GPCR family 2	0.0015	0.0135	0.013
Echinococcus granulosus	kelch ECH associated protein 1 like	0.0277	0.4436	0.4433
Brugia malayi	replication factor A 73 kDa subunit	0.0035	0.0455	0.2801
Brugia malayi	calcium-independent alpha-latrotoxin receptor 2, putative	0.0015	0.0135	0.0834
Schistosoma mansoni	hypothetical protein	0.0106	0.1623	0.1619
Loa Loa (eye worm)	replication factor A 73 kDa subunit	0.0035	0.0455	0.6721
Trichomonas vaginalis	replication factor A 1, rfa1, putative	0.0035	0.0455	0.0301
Schistosoma mansoni	hypothetical protein	0.0015	0.0135	0.013
Loa Loa (eye worm)	steroid hormone receptor	0.0007	0.0005	0.0078
Loa Loa (eye worm)	hypothetical protein	0.0007	0.0005	0.0078
Schistosoma mansoni	hypothetical protein	0.0015	0.0135	0.013
Loa Loa (eye worm)	hypothetical protein	0.0007	0.0005	0.0078
Brugia malayi	Nuclear hormone receptor family member nhr-41	0.0007	0.0005	0.0033
Loa Loa (eye worm)	nuclear hormone receptor family member nhr-31	0.0007	0.0005	0.0078
Echinococcus multilocularis	ATP dependent DNA helicase PIF1	0.0615	1	1
Loa Loa (eye worm)	nuclear hormone receptor family member nhr-49	0.0007	0.0005	0.0078
Echinococcus granulosus	Basic leucine zipper bZIP transcription	0.0106	0.1623	0.1619
Brugia malayi	Latrophilin receptor protein 2	0.0015	0.0135	0.0834
Trypanosoma brucei	DNA repair and recombination helicase protein PIF6	0.0615	1	1
Loa Loa (eye worm)	pigment dispersing factor receptor c	0.0048	0.0677	1
Brugia malayi	Nuclear hormone receptor family member nhr-14	0.0007	0.0005	0.0033
Brugia malayi	Nuclear hormone receptor family member nhr-1	0.0007	0.0005	0.0033
Brugia malayi	Nuclear hormone receptor family member nhr-3	0.0007	0.0005	0.0033
Loa Loa (eye worm)	nuclear hormone receptor family member nhr-40	0.0007	0.0005	0.0078
Trypanosoma brucei	DNA repair and recombination helicase protein PIF7	0.0615	1	1
Brugia malayi	Calcitonin receptor-like protein seb-1	0.0048	0.0677	0.4168
Echinococcus multilocularis	cadherin EGF LAG seven pass G type receptor	0.0015	0.0135	0.013
Giardia lamblia	Rrm3p helicase	0.0615	1	0.5
Echinococcus multilocularis	Kelch repeat type 1	0.0278	0.4448	0.4446
Entamoeba histolytica	hypothetical protein, conserved	0.0615	1	1
Loa Loa (eye worm)	hypothetical protein	0.0039	0.0519	0.7673
Schistosoma mansoni	replication factor A 1 rfa1	0.0035	0.0455	0.045
Brugia malayi	ecdysteroid receptor	0.0007	0.0005	0.0033
Trichomonas vaginalis	replication factor A 1, rfa1, putative	0.0033	0.0427	0.0273
Loa Loa (eye worm)	hypothetical protein	0.0007	0.0005	0.0078
Loa Loa (eye worm)	hypothetical protein	0.0007	0.0005	0.0078
Trichomonas vaginalis	replication factor A 1, rfa1, putative	0.0035	0.0455	0.0301
Entamoeba histolytica	hypothetical protein	0.0106	0.1623	0.1513
Echinococcus granulosus	replication protein A 70 kDa DNA binding	0.0035	0.0455	0.045

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: 459270

Bibliographic References

No literature references available for this target.

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Detailed information for compound 374949