TDR Targets

Basic information

Technical information

Name: Unnamed compound
MW: 316.201 | Formula: C14H29BN2O5
H donors: 4 H acceptors: 4 LogP: -2.37 Rotable bonds: 11
Rule of 5 violations (Lipinski): 1
SMILES: COC[C@@H]1CCCN1CC[C@@](C(=O)O)(CCCCB(O)O)N
InChi: 1S/C14H29BN2O5/c1-22-11-12-5-4-9-17(12)10-7-14(16,13(18)19)6-2-3-8-15(20)21/h12,20-21H,2-11,16H2,1H3,(H,18,19)/t12-,14+/m0/s1
InChiKey: XJYPAZFFTBQGGV-GXTWGEPZSA-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
Homo sapiens	arginase 2	Starlite/ChEMBL	References
Homo sapiens	arginase 1	Starlite/ChEMBL	References

Predicted pathogen targets for this compound

By orthology

Species	Potential target	Known druggable target/s	Ortholog Group
Echinococcus multilocularis	arginase 2, mitochondrial	Get druggable targets OG5_128245	All targets in OG5_128245
Plasmodium falciparum	arginase	Get druggable targets OG5_128245	All targets in OG5_128245
Leishmania donovani	arginase	Get druggable targets OG5_128245	All targets in OG5_128245
Plasmodium knowlesi	arginase, putative	Get druggable targets OG5_128245	All targets in OG5_128245
Echinococcus multilocularis		Get druggable targets OG5_128245	All targets in OG5_128245
Plasmodium yoelii	arginase	Get druggable targets OG5_128245	All targets in OG5_128245
Leishmania braziliensis	arginase	Get druggable targets OG5_128245	All targets in OG5_128245
Leishmania infantum	arginase	Get druggable targets OG5_128245	All targets in OG5_128245
Schistosoma mansoni	arginase	Get druggable targets OG5_128245	All targets in OG5_128245
Echinococcus granulosus	3'partial\|arginase 2 mitochondrial	Get druggable targets OG5_128245	All targets in OG5_128245
Trichomonas vaginalis	conserved hypothetical protein	Get druggable targets OG5_128245	All targets in OG5_128245
Plasmodium berghei	arginase	Get druggable targets OG5_128245	All targets in OG5_128245
Trichomonas vaginalis	conserved hypothetical protein	Get druggable targets OG5_128245	All targets in OG5_128245
Echinococcus granulosus	arginase 2 mitochondrial	Get druggable targets OG5_128245	All targets in OG5_128245
Candida albicans	likely arginase similar to S. cerevisiae CAR1 (YPL111W) involved in arginine catabolism to ornithine	Get druggable targets OG5_128245	All targets in OG5_128245
Trichomonas vaginalis	Arginase, putative	Get druggable targets OG5_128245	All targets in OG5_128245
Leishmania mexicana	arginase	Get druggable targets OG5_128245	All targets in OG5_128245
Candida albicans	likely arginase similar to S. cerevisiae CAR1 (YPL111W) involved in arginine catabolism to ornithine	Get druggable targets OG5_128245	All targets in OG5_128245
Schistosoma japonicum	ko:K01476 arginase [EC3.5.3.1], putative	Get druggable targets OG5_128245	All targets in OG5_128245
Leishmania major	arginase	Get druggable targets OG5_128245	All targets in OG5_128245
Entamoeba histolytica	Arginase, putative	Get druggable targets OG5_128245	All targets in OG5_128245
Plasmodium vivax	arginase, putative	Get druggable targets OG5_128245	All targets in OG5_128245
Plasmodium yoelii	arginase	Get druggable targets OG5_128245	All targets in OG5_128245

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 granulosus	tyrosine protein kinase shark	0.0074	0.0442	0.0435
Echinococcus multilocularis	retinal guanylyl cyclase 2	0.0053	0.0007	0.0007
Echinococcus multilocularis	mitogen activated protein kinase kinase kinase	0.0053	0.0007	0.0007
Schistosoma mansoni	tyrosine kinase	0.0088	0.0744	0.0761
Echinococcus multilocularis	tyrosine protein kinase Fyn	0.0074	0.0442	0.0442
Brugia malayi	Protein kinase domain containing protein	0.0074	0.0442	0.1185
Toxoplasma gondii	calcium dependent protein kinase CDPK8	0.0054	0.0019	1
Echinococcus multilocularis	epidermal growth factor receptor	0.0224	0.3675	0.3675
Echinococcus granulosus	3'partial\|arginase 2 mitochondrial	0.0414	0.7754	0.7752
Echinococcus multilocularis	retinal guanylyl cyclase 2	0.0053	0.0007	0.0007
Echinococcus multilocularis	FL cytokine receptor	0.0053	0.0007	0.0007
Echinococcus multilocularis	tyrosine protein kinase Src42A	0.0088	0.0744	0.0744
Brugia malayi	SH2 domain containing protein	0.0074	0.0442	0.1185
Entamoeba histolytica	Arginase, putative	0.0414	0.7754	1
Schistosoma mansoni	proto-oncogene tyrosine-protein kinase src	0.0088	0.0744	0.0761
Plasmodium vivax	arginase, putative	0.0414	0.7754	1
Loa Loa (eye worm)	TTK protein kinase	0.0083	0.0642	0.1732
Entamoeba histolytica	protein kinase domain containing protein	0.0054	0.0019	0.0015
Echinococcus multilocularis	dual specificity serine:threonine tyrosine	0.0083	0.0642	0.0642
Echinococcus multilocularis	c src tyrosine kinase	0.0088	0.0744	0.0744
Schistosoma mansoni	tyrosine kinase	0.0091	0.0819	0.0838
Schistosoma mansoni	arginase	0.0414	0.7754	0.7994
Echinococcus granulosus	dual specificity serine:threonine tyrosine	0.0083	0.0642	0.0636
Echinococcus multilocularis	tyrosine protein kinase Blk	0.0074	0.0442	0.0442
Echinococcus granulosus	tyrosine kinase	0.0074	0.0442	0.0435
Echinococcus granulosus	tyrosine kinase\|tyrosine protein kinase Fyn	0.0074	0.0442	0.0435
Echinococcus multilocularis	protein kinase	0.0053	0.0007	0.0007
Echinococcus multilocularis	tyrosine protein kinase csk	0.0053	0.0007	0.0007
Schistosoma mansoni	tyrosine kinase	0.0074	0.0442	0.0448
Echinococcus multilocularis	kinase suppressor of Ras 1	0.0053	0.0007	0.0007
Echinococcus multilocularis	transfer RNA-Thr	0.0053	0.0007	0.0007
Echinococcus multilocularis	arginase 2, mitochondrial	0.0414	0.7754	0.7754
Echinococcus multilocularis	tyrosine protein kinase Fes:Fps	0.0053	0.0007	0.0007
Echinococcus multilocularis	tyrosine protein kinase pr2	0.0053	0.0007	0.0007
Echinococcus granulosus	insulin receptor	0.0107	0.1165	0.1159
Echinococcus multilocularis	retinal guanylyl cyclase 2	0.0053	0.0007	0.0007
Echinococcus granulosus	insulin growth factor 1 receptor beta	0.0107	0.1165	0.1159
Loa Loa (eye worm)	TK/FER protein kinase	0.0074	0.0442	0.1185
Plasmodium falciparum	arginase	0.0414	0.7754	1
Brugia malayi	Tyrosine-protein kinase abl-1	0.0088	0.0744	0.201
Leishmania major	agmatinase-like protein	0.0151	0.2095	0.2695
Echinococcus multilocularis	activated cdc42 kinase 1	0.0053	0.0007	0.0007
Echinococcus multilocularis	tyrosine protein kinase csk	0.0053	0.0007	0.0007
Loa Loa (eye worm)	TK/FER protein kinase	0.0074	0.0442	0.1185
Echinococcus multilocularis	fibroblast growth factor receptor 4	0.0053	0.0007	0.0007
Schistosoma mansoni	tyrosine kinase	0.0091	0.0819	0.0838
Brugia malayi	Protein kinase domain containing protein	0.0107	0.1165	0.3157
Echinococcus granulosus	tyrosine protein kinase Fyn	0.0088	0.0744	0.0738
Echinococcus granulosus	tyrosine protein kinase Blk	0.0074	0.0442	0.0435
Echinococcus multilocularis	tyrosine protein kinase transmembrane receptor	0.0053	0.0007	0.0007
Echinococcus granulosus	epidermal growth factor receptor	0.0145	0.1968	0.1962
Echinococcus multilocularis		0.0414	0.7754	0.7754
Brugia malayi	Protein kinase domain containing protein	0.0074	0.0442	0.1185
Echinococcus multilocularis	raf serine:threonine protein kinase	0.0053	0.0007	0.0007
Trypanosoma cruzi	arginase, putative	0.0151	0.2095	1
Trichomonas vaginalis	conserved hypothetical protein	0.0414	0.7754	1
Echinococcus granulosus	tyrosine kinase	0.0074	0.0442	0.0435
Schistosoma mansoni	tyrosine kinase	0.0088	0.0744	0.0761
Echinococcus granulosus	3'partial\|tyrosine protein kinase Fgr	0.0088	0.0744	0.0738
Onchocerca volvulus		0.0074	0.0442	0.6839
Schistosoma mansoni	tyrosine kinase	0.0145	0.1968	0.2024
Echinococcus granulosus	activin receptor type	0.0054	0.0019	0.0011
Echinococcus multilocularis	tyrosine protein kinase transmembrane receptor	0.0053	0.0007	0.0007
Brugia malayi	Immunoglobulin I-set domain containing protein	0.0071	0.0391	0.1046
Echinococcus multilocularis	natriuretic peptide receptor 1	0.0053	0.0007	0.0007
Echinococcus multilocularis	protein kinase	0.0053	0.0007	0.0007
Onchocerca volvulus		0.0074	0.0442	0.6839
Brugia malayi	Protein kinase domain containing protein	0.0074	0.0442	0.1185
Onchocerca volvulus		0.0074	0.0442	0.6839
Schistosoma mansoni	tyrosine kinase	0.0107	0.1165	0.1195
Echinococcus granulosus	c src tyrosine kinase	0.0088	0.0744	0.0738
Loa Loa (eye worm)	TK/ABL protein kinase	0.0074	0.0442	0.1185
Loa Loa (eye worm)	TK/FER protein kinase	0.0074	0.0442	0.1185
Schistosoma mansoni	tyrosine kinase	0.0145	0.1968	0.2024
Loa Loa (eye worm)	TK/INSR protein kinase	0.0107	0.1165	0.3157
Echinococcus multilocularis	tyrosine protein kinase Fyn	0.0088	0.0744	0.0744
Echinococcus granulosus	tyrosine protein kinase Src42A	0.0088	0.0744	0.0738
Echinococcus multilocularis	basic fibroblast growth factor receptor 1 A	0.0053	0.0007	0.0007
Loa Loa (eye worm)	TK/FER protein kinase	0.0074	0.0442	0.1185
Loa Loa (eye worm)	SRC-1	0.0088	0.0744	0.201
Loa Loa (eye worm)	TK/FER protein kinase	0.0074	0.0442	0.1185
Schistosoma mansoni	tyrosine kinase	0.0504	0.9697	1
Trichomonas vaginalis	CAMK family protein kinase	0.0083	0.0642	0.082
Onchocerca volvulus	Dual specificity protein kinase TTK homolog	0.0083	0.0642	1
Plasmodium falciparum	protein kinase, putative	0.0054	0.0019	0.0015
Loa Loa (eye worm)	hypothetical protein	0.0074	0.0442	0.1185
Echinococcus multilocularis	heat shock protein 70	0.0053	0.0007	0.0007
Echinococcus granulosus	arginase 2 mitochondrial	0.0414	0.7754	0.7752
Echinococcus multilocularis	tyrosine protein kinase Fyn	0.0088	0.0744	0.0744
Schistosoma mansoni	protein kinase	0.0054	0.0019	0.0012
Schistosoma mansoni	protein kinase	0.0054	0.0019	0.0012
Echinococcus multilocularis	tyrosine protein kinase csk	0.0053	0.0007	0.0007
Echinococcus multilocularis	tyrosine protein kinase Src64B	0.0088	0.0744	0.0744
Echinococcus multilocularis	mitogen activated protein kinase kinase kinase	0.0053	0.0007	0.0007
Trypanosoma brucei	agmatinase, putative	0.0151	0.2095	1
Echinococcus multilocularis	tyrosine protein kinase ABL1	0.0074	0.0442	0.0442
Echinococcus multilocularis	macrophage colony stimulating factor 1 receptor	0.0053	0.0007	0.0007
Echinococcus multilocularis	integrin linked protein kinase	0.0053	0.0007	0.0007
Echinococcus multilocularis	tyrosine protein kinase Fyn	0.0088	0.0744	0.0744
Schistosoma mansoni	tyrosine kinase	0.0088	0.0744	0.0761
Loa Loa (eye worm)	TK protein kinase	0.0074	0.0442	0.1185
Echinococcus multilocularis	tyrosine protein kinase lyn tyrosine protein kinase blk	0.0088	0.0744	0.0744
Echinococcus multilocularis	insulin receptor	0.0107	0.1165	0.1165
Echinococcus multilocularis	tyrosine protein kinase lyn lyn a protein tyrosine kinase lymphocyte specific protein tyrosine kinase	0.0088	0.0744	0.0744
Brugia malayi	Furin-like cysteine rich region family protein	0.0224	0.3675	1
Echinococcus granulosus	tyrosine protein kinase Fps85D	0.0074	0.0442	0.0435
Schistosoma mansoni	protein kinase	0.0054	0.0019	0.0012
Echinococcus multilocularis	protein tyrosine kinase	0.0053	0.0007	0.0007
Echinococcus multilocularis	epidermal growth factor receptor	0.0145	0.1968	0.1968
Brugia malayi	SRC-1	0.0088	0.0744	0.201
Loa Loa (eye worm)	TK/EGFR protein kinase	0.0224	0.3675	1
Echinococcus multilocularis	proto oncogene tyrosine protein kinase LCK	0.0088	0.0744	0.0744
Echinococcus multilocularis	tyrosine protein kinase HCK	0.0053	0.0007	0.0007
Trichomonas vaginalis	Arginase, putative	0.0414	0.7754	1
Trypanosoma cruzi	STE/STE11 serine/threonine-protein kinase, putative	0.0054	0.0019	0.0055
Brugia malayi	Protein kinase domain containing protein	0.0074	0.0442	0.1185
Leishmania major	arginase	0.0414	0.7754	1
Giardia lamblia	Kinase, TTK	0.0083	0.0642	1
Trypanosoma cruzi	STE/STE11 serine/threonine-protein kinase, putative	0.0054	0.0019	0.0055
Onchocerca volvulus		0.0074	0.0442	0.6839
Schistosoma mansoni	tyrosine kinase	0.0091	0.0819	0.0838
Echinococcus granulosus	tyrosine protein kinase Fyn	0.0088	0.0744	0.0738
Trichomonas vaginalis	CAMK family protein kinase	0.0083	0.0642	0.082
Schistosoma mansoni	serine/threonine protein kinase	0.0068	0.031	0.0312
Echinococcus granulosus	tyrosine protein kinase Src64B	0.0088	0.0744	0.0738
Trypanosoma cruzi	arginase, putative	0.0151	0.2095	1
Echinococcus multilocularis	atrial natriuretic peptide receptor 1	0.0053	0.0007	0.0007
Loa Loa (eye worm)	TK/KIN16 protein kinase	0.0071	0.0391	0.1046
Loa Loa (eye worm)	TK/FER protein kinase	0.0074	0.0442	0.1185
Entamoeba histolytica	SH2-protein kinase domain containing protein	0.0074	0.0442	0.0561
Brugia malayi	hypothetical protein	0.0074	0.0442	0.1185
Trypanosoma brucei	STE/STE11 serine/threonine-protein kinase, putative	0.0054	0.0019	0.0055
Echinococcus granulosus	tyrosine protein kinase ABL1	0.0074	0.0442	0.0435
Echinococcus granulosus	proto oncogene tyrosine protein kinase LCK	0.0088	0.0744	0.0738
Echinococcus multilocularis	tyrosine protein kinase Abl	0.0088	0.0744	0.0744
Echinococcus multilocularis	tyrosine protein kinase Fps85D	0.0074	0.0442	0.0442
Echinococcus multilocularis	insulin growth factor 1 receptor beta	0.0107	0.1165	0.1165
Loa Loa (eye worm)	TK/FER protein kinase	0.0074	0.0442	0.1185
Echinococcus multilocularis	tyrosine protein kinase csk	0.0053	0.0007	0.0007
Leishmania major	protein kinase, putative	0.0054	0.0019	0.0015
Echinococcus multilocularis	ephrin type A receptor 4 A	0.0053	0.0007	0.0007
Echinococcus multilocularis	tyrosine protein kinase	0.0053	0.0007	0.0007
Echinococcus multilocularis	tyrosine kinase	0.0074	0.0442	0.0442
Loa Loa (eye worm)	TK/FER protein kinase	0.0074	0.0442	0.1185
Trichomonas vaginalis	conserved hypothetical protein	0.0414	0.7754	1
Onchocerca volvulus		0.0074	0.0442	0.6839
Brugia malayi	SH2 domain containing protein	0.0074	0.0442	0.1185
Echinococcus granulosus	tyrosine protein kinase Srms	0.0074	0.0442	0.0435
Echinococcus multilocularis	protein KINase family member (kin 25)	0.0053	0.0007	0.0007
Brugia malayi	protein-tyrosine kinase	0.0074	0.0442	0.1185
Echinococcus multilocularis	receptor type guanylyl cyclase	0.0053	0.0007	0.0007
Schistosoma mansoni	tyrosine kinase	0.0224	0.3675	0.3785
Brugia malayi	Protein kinase domain containing protein	0.0074	0.0442	0.1185
Loa Loa (eye worm)	TK/FER protein kinase	0.0074	0.0442	0.1185
Trypanosoma cruzi	agmatinase, putative	0.0151	0.2095	1
Echinococcus multilocularis	tyrosine protein kinase Srms	0.0074	0.0442	0.0442
Echinococcus multilocularis	tyrosine protein kinase shark	0.0074	0.0442	0.0442
Schistosoma mansoni	dual specificity serine/threonine tyrosine kinase	0.0083	0.0642	0.0655
Echinococcus multilocularis	tyrosine kinase	0.0053	0.0007	0.0007
Loa Loa (eye worm)	TK/FER protein kinase	0.0074	0.0442	0.1185
Echinococcus granulosus	melanoma receptor tyrosine protein kinase	0.0145	0.1968	0.1962
Onchocerca volvulus		0.0074	0.0442	0.6839
Echinococcus multilocularis	activin receptor type	0.0054	0.0019	0.0019
Trypanosoma cruzi	agmatinase, putative	0.0151	0.2095	1
Echinococcus granulosus	tyrosine protein kinase Fyn	0.0088	0.0744	0.0738
Echinococcus multilocularis	dual specificity testis specific protein kinase	0.0054	0.0019	0.0019
Echinococcus multilocularis	tyrosine protein kinase Fgr	0.0088	0.0744	0.0744
Echinococcus granulosus	dual specificity testis-specific protein kinase	0.0054	0.0019	0.0011
Trypanosoma brucei	protein kinase, putative	0.0054	0.0019	0.0055
Echinococcus granulosus	epidermal growth factor receptor	0.0224	0.3675	0.367
Schistosoma mansoni	tyrosine kinase	0.0107	0.1165	0.1195
Schistosoma mansoni	tyrosine kinase	0.0088	0.0744	0.0761
Brugia malayi	Protein kinase domain containing protein	0.0083	0.0642	0.1732
Echinococcus granulosus	tyrosine protein kinase Lyn	0.0088	0.0756	0.0749

Activities

Activity type	Activity value	Assay description	Source	Reference
IC50 (binding)	= 210 nM	Inhibition of human recombinant full length arginase I overexpressed in Escherichia coli BL21(DE3) assessed as inhibition of urea formation after 60 mins by spectrophotometric analysis	ChEMBL.	23472952
IC50 (binding)	= 340 nM	Inhibition of human recombinant fully active truncated form of arginase 2 overexpressed in Escherichia coli BL21(DE3) assessed as inhibition of urea formation after 60 mins by spectrophotometric analysis	ChEMBL.	23472952

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: CHEMBL2326097

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 1725214