TDR Targets

Basic information

Technical information

Name: Unnamed compound
MW: 295.182 | Formula: C15H26BNO4
H donors: 2 H acceptors: 2 LogP: -0.15 Rotable bonds: 5
Rule of 5 violations (Lipinski): 1
SMILES: CN[C@H](C(=O)O)CCB1O[C@]23[C@](O1)(C)CCC(C2)C3(C)C
InChi: 1S/C15H26BNO4/c1-13(2)10-5-7-14(3)15(13,9-10)21-16(20-14)8-6-11(17-4)12(18)19/h10-11,17H,5-9H2,1-4H3,(H,18,19)/t10?,11-,14-,15+/m0/s1
InChiKey: KLORSTVMFRCKIG-FCXHOERTSA-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

Species	Target name	Source	Bibliographic reference
Streptococcus pyogenes serotype M1	Glutamyl-tRNA(Gln) amidotransferase subunit C	Starlite/ChEMBL	References

Predicted pathogen targets for this compound

By orthology

Species	Potential target	Known druggable target/s	Ortholog Group
Mycobacterium leprae	PROBABLE GLUTAMYL-TRNA(GLN) AMIDOTRANSFERASE (SUBUNIT C) GATC (Glu-ADT SUBUNIT C)	Get druggable targets OG5_131873	All targets in OG5_131873
Wolbachia endosymbiont of Brugia malayi	Asp-tRNAAsn/Glu-tRNAGln amidotransferase C subunit	Get druggable targets OG5_131873	All targets in OG5_131873
Mycobacterium ulcerans	aspartyl/glutamyl-tRNA amidotransferase subunit C	Get druggable targets OG5_131873	All targets in OG5_131873
Chlamydia trachomatis	glutamyl-tRNA(Gln) amidotransferase subunit C	Get druggable targets OG5_131873	All targets in OG5_131873
Mycobacterium tuberculosis	Probable glutamyl-tRNA(GLN) amidotransferase (subunit C) GatC (Glu-ADT subunit C)	Get druggable targets OG5_131873	All targets in OG5_131873

By sequence similarity to non orthologous known druggable targets

Species	Potential target	Known druggable target	Length	Alignment span	Identity
Plasmodium knowlesi	Plasmodium exported protein, unknown function	Glutamyl-tRNA(Gln) amidotransferase subunit C	100 aa	94 aa	25.5 %
Trichomonas vaginalis	conserved hypothetical protein	Glutamyl-tRNA(Gln) amidotransferase subunit C	100 aa	89 aa	22.5 %

Ranking Plot

Putative Targets List

Species	Potential target	Raw	Global	Species
Brugia malayi	hypothetical protein	0.0037	0.0563	0.0831
Loa Loa (eye worm)	hypothetical protein	0.0021	0.0122	0.02
Brugia malayi	Nuclear hormone receptor family member nhr-14	0.0039	0.0616	0.0919
Schistosoma mansoni	nuclear receptor	0.0019	0.0063	0.0153
Echinococcus granulosus	nuclear factor of activated T cells 5	0.0082	0.1761	0.1976
Echinococcus granulosus	ecdysone induced protein 78C	0.0039	0.0616	0.0691
Echinococcus multilocularis	hepatocyte nuclear factor 4 alpha	0.0039	0.0616	0.0691
Echinococcus multilocularis	COUP TF:Svp nuclear hormone receptor	0.0039	0.0616	0.0691
Loa Loa (eye worm)	follicle stimulating hormone receptor	0.0244	0.6085	1
Schistosoma mansoni	photoreceptor-specific nuclear receptor related	0.0039	0.0616	0.1504
Brugia malayi	Nuclear hormone receptor family member nhr-41	0.0039	0.0616	0.0919
Schistosoma mansoni	thyroid hormone receptor	0.017	0.4097	1
Loa Loa (eye worm)	hypothetical protein	0.0021	0.0122	0.02
Onchocerca volvulus		0.0039	0.0616	0.1681
Loa Loa (eye worm)	hypothetical protein	0.0019	0.0063	0.0103
Loa Loa (eye worm)	nuclear receptor NHR-67	0.0019	0.0063	0.0103
Brugia malayi	Steroid receptor seven-up type 2	0.0039	0.0616	0.0919
Schistosoma mansoni	nuclear hormone receptor superfamily protein-related	0.0019	0.0063	0.0153
Schistosoma mansoni	coup transcription factor	0.0039	0.0616	0.1504
Schistosoma mansoni	nuclear hormone receptor nor-1/nor-2	0.0039	0.0616	0.1504
Echinococcus granulosus	FTZ F1 nuclear receptor protein	0.0039	0.0616	0.0691
Brugia malayi	Nuclear hormone receptor family member nhr-49	0.0039	0.0616	0.0919
Loa Loa (eye worm)	nuclear hormone receptor-like 1	0.0021	0.0122	0.02
Loa Loa (eye worm)	intermediate filament tail domain-containing protein	0.0028	0.0314	0.0516
Brugia malayi	Nuclear hormone receptor-like 1	0.0021	0.0122	0.0098
Loa Loa (eye worm)	hypothetical protein	0.0039	0.0616	0.1013
Echinococcus granulosus	Basic leucine zipper bZIP transcription	0.0037	0.0563	0.0632
Loa Loa (eye worm)	hypothetical protein	0.0021	0.0122	0.02
Brugia malayi	Nuclear hormone receptor family member nhr-19	0.0039	0.0616	0.0919
Brugia malayi	Ligand-binding domain of nuclear hormone receptor family protein	0.0039	0.0616	0.0919
Loa Loa (eye worm)	hypothetical protein	0.0051	0.0936	0.1538
Echinococcus multilocularis	nuclear receptor subfamily 4 group A	0.0019	0.0063	0.007
Echinococcus granulosus	nuclear receptor subfamily 4 group A	0.0019	0.0063	0.007
Brugia malayi	hypothetical protein	0.0021	0.0122	0.0098
Echinococcus multilocularis	thyroid hormone receptor alpha	0.017	0.4097	0.4598
Schistosoma mansoni	transcription factor LCR-F1	0.0037	0.0563	0.1374
Loa Loa (eye worm)	hypothetical protein	0.0039	0.0616	0.1013
Onchocerca volvulus	Huntingtin homolog	0.0127	0.2955	0.8787
Loa Loa (eye worm)	DR-78	0.0019	0.0063	0.0103
Echinococcus multilocularis	Basic leucine zipper (bZIP) transcription	0.0037	0.0563	0.0632
Echinococcus multilocularis	ecdysone induced protein 78C	0.0039	0.0616	0.0691
Echinococcus granulosus	nuclear receptor subfamily 1 group D	0.0021	0.0122	0.0137
Echinococcus granulosus	nuclear receptor 2DBD gamma	0.0039	0.0616	0.0691
Loa Loa (eye worm)	hypothetical protein	0.0019	0.0063	0.0103
Echinococcus multilocularis	jun protein	0.0181	0.439	0.4927
Brugia malayi	Nuclear hormone receptor family member nhr-31	0.0039	0.0616	0.0919
Brugia malayi	steroid hormone receptor	0.0039	0.0616	0.0919
Brugia malayi	nuclear hormone receptor	0.0039	0.0616	0.0919
Loa Loa (eye worm)	hypothetical protein	0.0019	0.0063	0.0103
Loa Loa (eye worm)	hypothetical protein	0.0039	0.0616	0.1013
Echinococcus multilocularis	nuclear factor of activated T cells 5	0.0082	0.1761	0.1976
Entamoeba histolytica	hypothetical protein	0.0037	0.0563	0.5
Schistosoma mansoni	Tr4/Tr2 (homologue)	0.0039	0.0616	0.1504
Brugia malayi	intermediate filament protein	0.0028	0.0314	0.0417
Schistosoma mansoni	hypothetical protein	0.013	0.3049	0.7442
Brugia malayi	Ligand-binding domain of nuclear hormone receptor family protein	0.0039	0.0616	0.0919
Loa Loa (eye worm)	hypothetical protein	0.0176	0.4258	0.6998
Schistosoma mansoni	FTZ-F1 nuclear receptor-like protein	0.0039	0.0616	0.1504
Echinococcus multilocularis	nuclear receptor 2DBD gamma	0.0039	0.0616	0.0691
Loa Loa (eye worm)	hypothetical protein	0.0019	0.0063	0.0103
Echinococcus granulosus	Nuclear hormone receptor HR96	0.0019	0.0063	0.007
Loa Loa (eye worm)	hypothetical protein	0.0019	0.0063	0.0103
Schistosoma mansoni	retinoid-x-receptor (RXR)	0.0021	0.0122	0.0297
Entamoeba histolytica	hypothetical protein	0.0037	0.0563	0.5
Schistosoma mansoni	nuclear receptor nhr-48	0.0019	0.0063	0.0153
Entamoeba histolytica	hypothetical protein	0.0037	0.0563	0.5
Schistosoma mansoni	ecdysone-induced protein 78c (dr-78)	0.0021	0.0122	0.0297
Loa Loa (eye worm)	hypothetical protein	0.0039	0.0616	0.1013
Schistosoma mansoni	lamin	0.0028	0.0314	0.0766
Echinococcus multilocularis	Nuclear hormone receptor HR96	0.0019	0.0063	0.007
Brugia malayi	nuclear receptor NHR-88	0.0039	0.0616	0.0919
Loa Loa (eye worm)	hypothetical protein	0.0019	0.0063	0.0103
Loa Loa (eye worm)	hypothetical protein	0.0127	0.2955	0.4857
Schistosoma mansoni	nuclear receptor	0.0019	0.0063	0.0153
Echinococcus multilocularis	Nuclear hormone receptor family member nhr 41	0.0039	0.0616	0.0691
Brugia malayi	Nuclear hormone receptor family member nhr-40	0.0039	0.0616	0.0919
Entamoeba histolytica	hypothetical protein	0.0037	0.0563	0.5
Echinococcus multilocularis	Nuclear hormone receptor HR96	0.0019	0.0063	0.007
Brugia malayi	Intermediate filament tail domain containing protein	0.0028	0.0314	0.0417
Schistosoma mansoni	retinoic acid receptor RXR	0.0039	0.0616	0.1504
Loa Loa (eye worm)	hypothetical protein	0.0027	0.03	0.0493
Echinococcus multilocularis	Basic leucine zipper (bZIP) transcription factor	0.0181	0.439	0.4927
Echinococcus multilocularis	nuclear receptor 2DBD gamma	0.0019	0.0063	0.007
Echinococcus granulosus	lamin dm0	0.0028	0.0314	0.0352
Echinococcus granulosus	jun protein	0.0181	0.439	0.4927
Echinococcus granulosus	FTZ F1 alpha	0.0039	0.0616	0.0691
Schistosoma mansoni	nuclear receptor 2DBD-gamma	0.0039	0.0616	0.1504
Loa Loa (eye worm)	hypothetical protein	0.0019	0.0063	0.0103
Schistosoma mansoni	steroid hormone receptor ad4bp	0.0039	0.0616	0.1504
Schistosoma mansoni	hypothetical protein	0.0037	0.0563	0.1374
Loa Loa (eye worm)	nuclear receptor nhr-7B	0.0019	0.0063	0.0103
Onchocerca volvulus		0.0028	0.0314	0.0763
Schistosoma mansoni	nuclear hormone receptor	0.0019	0.0063	0.0153
Loa Loa (eye worm)	hypothetical protein	0.0028	0.0314	0.0516
Echinococcus granulosus	Mitotic checkpoint protein PRCC C terminal	0.013	0.3049	0.3422
Schistosoma mansoni	nuclear hormone receptor	0.0019	0.0063	0.0153
Echinococcus granulosus	thyroid hormone receptor alpha	0.0019	0.0063	0.007
Loa Loa (eye worm)	hypothetical protein	0.0039	0.0616	0.1013
Echinococcus granulosus	hepatocyte nuclear factor 4 alpha	0.0039	0.0616	0.0691
Echinococcus granulosus	Basic leucine zipper bZIP transcription factor	0.0181	0.439	0.4927
Onchocerca volvulus	Huntingtin homolog	0.0127	0.2955	0.8787
Echinococcus multilocularis	nuclear receptor subfamily 1 group D	0.0021	0.0122	0.0137
Schistosoma mansoni	hypothetical protein	0.0147	0.3487	0.8512
Loa Loa (eye worm)	hypothetical protein	0.0019	0.0063	0.0103
Onchocerca volvulus		0.0142	0.3355	1
Echinococcus granulosus	nuclear receptor nhr 48	0.0019	0.0063	0.007
Schistosoma mansoni	retinoid-x-receptor (RXR)	0.0039	0.0616	0.1504
Brugia malayi	Nuclear hormone receptor-like 1	0.0021	0.0122	0.0098
Schistosoma mansoni	RAR-like nuclear receptor	0.0039	0.0616	0.1504
Echinococcus granulosus	Nuclear hormone receptor family member nhr 41	0.0039	0.0616	0.0691
Brugia malayi	Nuclear hormone receptor family member nhr-19	0.0039	0.0616	0.0919
Loa Loa (eye worm)	hypothetical protein	0.0019	0.0063	0.0103
Loa Loa (eye worm)	hypothetical protein	0.0127	0.2955	0.4857
Echinococcus multilocularis	nuclear receptor 2DBD gamma	0.0039	0.0616	0.0691
Schistosoma mansoni	hepatocyte nuclear factor 4-alpha (hnf-4-alpha)	0.0019	0.0063	0.0153
Loa Loa (eye worm)	nuclear hormone receptor family member nhr-31	0.0039	0.0616	0.1013
Schistosoma mansoni	cellular tumor antigen P53	0.0051	0.0936	0.2284
Brugia malayi	Nuclear hormone receptor family member nhr-1	0.0039	0.0616	0.0919
Echinococcus multilocularis	Mitotic checkpoint protein PRCC, C terminal	0.013	0.3049	0.3422
Mycobacterium leprae	PROBABLE GLUTAMYL-TRNA(GLN) AMIDOTRANSFERASE (SUBUNIT C) GATC (Glu-ADT SUBUNIT C)	0.0391	1	0.5
Brugia malayi	Nuclear hormone receptor-like 1	0.0039	0.0616	0.0919
Echinococcus granulosus	retinoic acid receptor rxr beta a	0.0039	0.0616	0.0691
Onchocerca volvulus		0.0051	0.0936	0.2652
Echinococcus multilocularis	tumor protein p63	0.035	0.891	1
Loa Loa (eye worm)	hypothetical protein	0.0039	0.0616	0.1013
Brugia malayi	ecdysteroid receptor	0.0039	0.0616	0.0919
Brugia malayi	bZIP transcription factor family protein	0.0181	0.439	0.7186
Echinococcus granulosus	COUP TF:Svp nuclear hormone receptor	0.0039	0.0616	0.0691
Brugia malayi	hypothetical protein	0.0021	0.0122	0.0098
Schistosoma mansoni	intermediate filament proteins	0.0028	0.0314	0.0766
Loa Loa (eye worm)	hypothetical protein	0.0019	0.0063	0.0103
Schistosoma mansoni	thyroid hormone receptor	0.017	0.4097	1
Loa Loa (eye worm)	nuclear hormone receptor family member nhr-40	0.0039	0.0616	0.1013
Echinococcus granulosus	tumor protein p63	0.035	0.891	1
Loa Loa (eye worm)	hypothetical protein	0.0019	0.0063	0.0103
Mycobacterium ulcerans	aspartyl/glutamyl-tRNA amidotransferase subunit C	0.0391	1	0.5
Brugia malayi	follicle stimulating hormone receptor	0.0244	0.6085	1
Loa Loa (eye worm)	hypothetical protein	0.0019	0.0063	0.0103
Echinococcus multilocularis	musashi	0.0028	0.0314	0.0352
Echinococcus granulosus	intermediate filament protein	0.0028	0.0314	0.0352
Brugia malayi	Nuclear hormone receptor family member nhr-3	0.0039	0.0616	0.0919
Schistosoma mansoni	hypothetical protein	0.0054	0.0998	0.2437
Echinococcus granulosus	nuclear receptor 2DBD gamma	0.0019	0.0063	0.007
Echinococcus granulosus	lamin	0.0028	0.0314	0.0352
Loa Loa (eye worm)	hypothetical protein	0.0039	0.0616	0.1013
Schistosoma mansoni	nuclear hormone receptor	0.0039	0.0616	0.1504
Onchocerca volvulus		0.0028	0.0314	0.0763
Echinococcus granulosus	nuclear receptor 2DBD gamma	0.0039	0.0616	0.0691
Brugia malayi	Nuclear hormone receptor family member nhr-25	0.0039	0.0616	0.0919
Brugia malayi	Nuclear hormone receptor family member nhr-25	0.0039	0.0616	0.0919
Echinococcus multilocularis	lamin dm0	0.0028	0.0314	0.0352
Brugia malayi	photoreceptor-specific nuclear receptor	0.0039	0.0616	0.0919
Brugia malayi	hypothetical protein	0.0127	0.2955	0.4804
Echinococcus multilocularis	nuclear receptor nhr 48	0.0019	0.0063	0.007
Schistosoma mansoni	lamin	0.0028	0.0314	0.0766
Wolbachia endosymbiont of Brugia malayi	Asp-tRNAAsn/Glu-tRNAGln amidotransferase C subunit	0.0391	1	0.5
Schistosoma mansoni	zinc finger protein	0.0019	0.0063	0.0153
Echinococcus multilocularis	FTZ F1 alpha	0.0039	0.0616	0.0691
Loa Loa (eye worm)	nuclear Hormone Receptor family member	0.0039	0.0616	0.1013
Loa Loa (eye worm)	hypothetical protein	0.0131	0.3071	0.5047
Brugia malayi	hypothetical protein	0.0142	0.3355	0.5467
Loa Loa (eye worm)	hypothetical protein	0.0021	0.0122	0.02
Loa Loa (eye worm)	hypothetical protein	0.0039	0.0616	0.1013
Loa Loa (eye worm)	nuclear hormone receptor family member nhr-41	0.0039	0.0616	0.1013
Loa Loa (eye worm)	nuclear hormone receptor family member nhr-14	0.0039	0.0616	0.1013
Echinococcus multilocularis	retinoic acid receptor rxr beta a retinoic acid receptor rxr alpha a retinoic acid receptor rxr alpha	0.0019	0.0063	0.007
Schistosoma mansoni	jun-related protein	0.0147	0.3487	0.8512
Loa Loa (eye worm)	hypothetical protein	0.0019	0.0063	0.0103
Onchocerca volvulus	Bile acid receptor homolog	0.0039	0.0616	0.1681
Loa Loa (eye worm)	nuclear hormone receptor family member nhr-1	0.0039	0.0616	0.1013
Brugia malayi	aspartyl/glutamyl-tRNA(Asn/Gln) amidotransferase subunit C	0.0131	0.3071	0.4995
Onchocerca volvulus	Protein ultraspiracle homolog	0.0039	0.0616	0.1681
Loa Loa (eye worm)	nuclear hormone receptor family member nhr-49	0.0039	0.0616	0.1013
Echinococcus multilocularis	lamin	0.0028	0.0314	0.0352
Echinococcus multilocularis	FTZ F1 nuclear receptor protein	0.0039	0.0616	0.0691
Onchocerca volvulus	Steroid hormone receptor family member cnr14 homolog	0.0039	0.0616	0.1681
Loa Loa (eye worm)	steroid hormone receptor	0.0039	0.0616	0.1013
Mycobacterium tuberculosis	Probable glutamyl-tRNA(GLN) amidotransferase (subunit C) GatC (Glu-ADT subunit C)	0.0259	0.6498	0.5
Loa Loa (eye worm)	intermediate filament protein	0.0028	0.0314	0.0516
Brugia malayi	nuclear receptor RXR	0.0021	0.0122	0.0098
Loa Loa (eye worm)	hypothetical protein	0.0021	0.0122	0.02
Loa Loa (eye worm)	nuclear hormone receptor	0.0019	0.0063	0.0103
Echinococcus granulosus	Nuclear hormone receptor HR96	0.0019	0.0063	0.007

Activities

Activity type	Activity value	Assay description	Source	Reference
IC50 (binding)	uM	In vitro inhibitory concentration against Glutaminase activity of bacterial Glu-tRNA-Gln amidotransferase (Glu-AdT)	ChEMBL.	11549469
IC50 (binding)	ND 0 uM	In vitro inhibitory concentration against Glutaminase activity of bacterial Glu-tRNA-Gln amidotransferase (Glu-AdT)	ChEMBL.	11549469
IC50 (binding)	= 1.1 uM	In vitro inhibitory concentration against transferase activity of bacterial Glu-tRNA-Gln amidotransferase (Glu-AdT)	ChEMBL.	11549469
IC50 (binding)	= 1.1 uM	In vitro inhibitory concentration against transferase activity of bacterial Glu-tRNA-Gln amidotransferase (Glu-AdT)	ChEMBL.	11549469

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: CHEMBL83517

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 140333