TDR Targets

Basic information

Technical information

Name: Unnamed compound
MW: 272.149 | Formula: C12H25BN2O4
H donors: 4 H acceptors: 4 LogP: -2.29 Rotable bonds: 9
Rule of 5 violations (Lipinski): 1
SMILES: OB(CCCCC(C(=O)O)(CCN1CCCC1)N)O
InChi: 1S/C12H25BN2O4/c14-12(11(16)17,5-1-2-7-13(18)19)6-10-15-8-3-4-9-15/h18-19H,1-10,14H2,(H,16,17)
InChiKey: YRMBZGSOBXTTAQ-UHFFFAOYSA-N

Network

Hover on a compound node to display the structore

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

This is a work in progress. Come back soon to try this features!

Clustering layers

This is a work in progress. Come back soon to try this features!

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
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
Plasmodium yoelii	arginase	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 donovani	arginase	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
Leishmania braziliensis	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
Plasmodium knowlesi	arginase, putative	Get druggable targets OG5_128245	All targets in OG5_128245
Plasmodium berghei	arginase	Get druggable targets OG5_128245	All targets in OG5_128245
Plasmodium vivax	arginase, putative	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
Plasmodium falciparum	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
Leishmania infantum	arginase	Get druggable targets OG5_128245	All targets in OG5_128245
Echinococcus multilocularis	arginase 2, mitochondrial	Get druggable targets OG5_128245	All targets in OG5_128245
Leishmania mexicana	arginase	Get druggable targets OG5_128245	All targets in OG5_128245
Plasmodium yoelii	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 multilocularis		Get druggable targets OG5_128245	All targets in OG5_128245
Entamoeba histolytica	Arginase, putative	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 major	arginase	Get druggable targets OG5_128245	All targets in OG5_128245
Schistosoma mansoni	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
Leishmania major	arginase	0.0414	0.1414	0.1163
Loa Loa (eye worm)	fli-1 protein	0.0251	0.0787	0.0777
Loa Loa (eye worm)	hypothetical protein	0.0121	0.0284	0.0274
Loa Loa (eye worm)	hypothetical protein	0.0121	0.0284	0.0274
Trypanosoma cruzi	agmatinase, putative	0.0151	0.0397	0.0116
Echinococcus multilocularis	Basic leucine zipper (bZIP) transcription	0.0154	0.0412	0.028
Echinococcus granulosus	survival motor neuron protein 1	0.0234	0.0719	0.0591
Echinococcus multilocularis	arginase 2, mitochondrial	0.0414	0.1414	0.1295
Loa Loa (eye worm)	hypothetical protein	0.0121	0.0284	0.0274
Plasmodium falciparum	arginase	0.0414	0.1414	0.5
Echinococcus multilocularis		0.0414	0.1414	0.1295
Trypanosoma cruzi	mitogen-activated protein kinase 11, putative	0.2637	1	1
Brugia malayi	glutaminase DH11.1	0.0313	0.1023	0.1023
Echinococcus multilocularis	tumor protein p63	0.0386	0.1309	0.1189
Echinococcus multilocularis	mitogen activated protein kinase 3	0.2637	1	1
Echinococcus multilocularis	mitogen activated protein kinase	0.2637	1	1
Toxoplasma gondii	CMGC kinase, MAPK family (ERK) MAPK-1	0.2637	1	1
Echinococcus granulosus	mitogen activated protein kinase 3	0.2637	1	1
Loa Loa (eye worm)	beta-LACTamase domain containing family member	0.0121	0.0284	0.0274
Onchocerca volvulus		0.0121	0.0284	1
Brugia malayi	beta-lactamase family protein	0.0121	0.0284	0.0284
Schistosoma mansoni	hypothetical protein	0.0172	0.0478	0.0478
Schistosoma mansoni	cellular tumor antigen P53	0.0057	0.0034	0.0034
Brugia malayi	Hypothetical 52.5 kDa protein ZK945.1 in chromosome II, putative	0.0121	0.0284	0.0284
Brugia malayi	hypothetical protein	0.0154	0.0412	0.0412
Brugia malayi	MH2 domain containing protein	0.0375	0.1266	0.1266
Leishmania major	mitogen activated protein kinase, putative,map kinase, putative	0.2637	1	1
Leishmania major	mitogen activated protein kinase 4, putative;with=GeneDB:LmxM19.1440	0.2637	1	1
Trichomonas vaginalis	glutaminase, putative	0.0313	0.1023	0.0761
Schistosoma mansoni	family S12 unassigned peptidase (S12 family)	0.0121	0.0284	0.0284
Mycobacterium tuberculosis	Possible penicillin-binding protein	0.0774	0.2807	1
Echinococcus multilocularis	geminin	0.0172	0.0478	0.0347
Loa Loa (eye worm)	hypothetical protein	0.0234	0.0719	0.0709
Echinococcus multilocularis	beta LACTamase domain containing family member	0.0121	0.0284	0.015
Brugia malayi	Ets-domain containing protein	0.0083	0.0136	0.0136
Echinococcus multilocularis	survival motor neuron protein 1	0.0234	0.0719	0.0591
Mycobacterium leprae	conserved hypothetical protein	0.0121	0.0284	0.5
Loa Loa (eye worm)	CMGC/MAPK/ERK1 protein kinase	0.2637	1	1
Schistosoma mansoni	hypothetical protein	0.0154	0.0412	0.0412
Trichomonas vaginalis	CMGC family protein kinase	0.2637	1	1
Trypanosoma brucei	mitogen activated protein kinase 4, putative	0.2637	1	1
Trichomonas vaginalis	CMGC family protein kinase	0.2637	1	1
Schistosoma mansoni	arginase	0.0414	0.1414	0.1414
Echinococcus granulosus	mitogen activated protein kinase	0.2637	1	1
Onchocerca volvulus		0.0121	0.0284	1
Echinococcus multilocularis	atpase aaa+ type core atpase aaa type core	0.0821	0.2986	0.289
Plasmodium vivax	arginase, putative	0.0414	0.1414	1
Schistosoma mansoni	hypothetical protein	0.0172	0.0478	0.0478
Trichomonas vaginalis	Arginase, putative	0.0414	0.1414	0.1163
Loa Loa (eye worm)	hypothetical protein	0.0121	0.0284	0.0274
Entamoeba histolytica	Arginase, putative	0.0414	0.1414	1
Brugia malayi	Ets-domain containing protein	0.0083	0.0136	0.0136
Trypanosoma cruzi	mitogen activated protein kinase 2, putative	0.2637	1	1
Trypanosoma cruzi	mitogen activated protein kinase 4, putative	0.2637	1	1
Loa Loa (eye worm)	D-ets-4 DNA binding domain-containing protein	0.0083	0.0136	0.0125
Trypanosoma cruzi	arginase, putative	0.0151	0.0397	0.0116
Schistosoma mansoni	ets-related	0.0251	0.0787	0.0787
Brugia malayi	Corticotropin releasing factor receptor 2 precursor, putative	0.005	0.0011	0.0011
Echinococcus granulosus	beta LACTamase domain containing family member	0.0121	0.0284	0.015
Trypanosoma cruzi	agmatinase, putative	0.0151	0.0397	0.0116
Trypanosoma brucei	protein kinase, putative	0.2637	1	1
Brugia malayi	beta-lactamase family protein	0.0121	0.0284	0.0284
Loa Loa (eye worm)	transcription factor SMAD2	0.0375	0.1266	0.1257
Trichomonas vaginalis	conserved hypothetical protein	0.0414	0.1414	0.1163
Loa Loa (eye worm)	MH2 domain-containing protein	0.0375	0.1266	0.1257
Schistosoma mansoni	transcription factor LCR-F1	0.0154	0.0412	0.0412
Trypanosoma cruzi	mitogen-activated protein kinase 11, putative	0.2637	1	1
Echinococcus granulosus	geminin	0.0172	0.0478	0.0347
Mycobacterium leprae	Probable lipase LipE	0.0121	0.0284	0.5
Trichomonas vaginalis	CMGC family protein kinase	0.2637	1	1
Echinococcus granulosus	tumor protein p63	0.0386	0.1309	0.1189
Loa Loa (eye worm)	hypothetical protein	0.0057	0.0034	0.0024
Loa Loa (eye worm)	hypothetical protein	0.0121	0.0284	0.0274
Schistosoma mansoni	glutaminase	0.0313	0.1023	0.1023
Brugia malayi	Fli-1 protein	0.0251	0.0787	0.0787
Schistosoma mansoni	gabp alpha	0.0083	0.0136	0.0136
Echinococcus granulosus	3'partial\|arginase 2 mitochondrial	0.0414	0.1414	0.1295
Schistosoma mansoni	serine/threonine protein kinase	0.2637	1	1
Loa Loa (eye worm)	glutaminase 2	0.0313	0.1023	0.1014
Giardia lamblia	Kinase, CMGC MAPK	0.2637	1	0.5
Trypanosoma brucei	agmatinase, putative	0.0151	0.0397	0.0116
Trichomonas vaginalis	conserved hypothetical protein	0.0414	0.1414	0.1163
Mycobacterium ulcerans	glutaminase	0.0313	0.1023	1
Onchocerca volvulus		0.0057	0.0034	0.1206
Loa Loa (eye worm)	hypothetical protein	0.0121	0.0284	0.0274
Trypanosoma cruzi	arginase, putative	0.0151	0.0397	0.0116
Brugia malayi	beta-lactamase	0.0121	0.0284	0.0284
Loa Loa (eye worm)	glutaminase	0.0313	0.1023	0.1014
Loa Loa (eye worm)	beta-lactamase	0.0121	0.0284	0.0274
Onchocerca volvulus		0.0121	0.0284	1
Brugia malayi	Calcitonin receptor-like protein seb-1	0.005	0.0011	0.0011
Schistosoma mansoni	family S12 unassigned peptidase (S12 family)	0.0121	0.0284	0.0284
Echinococcus granulosus	Basic leucine zipper bZIP transcription	0.0154	0.0412	0.028
Leishmania major	agmatinase-like protein	0.0151	0.0397	0.0116
Brugia malayi	hypothetical protein	0.0234	0.0719	0.0719
Echinococcus granulosus	arginase 2 mitochondrial	0.0414	0.1414	0.1295
Trichomonas vaginalis	CMGC family protein kinase	0.2637	1	1
Loa Loa (eye worm)	hypothetical protein	0.0071	0.0089	0.0079

Activities

Activity type	Activity value	Assay description	Source	Reference
IC50 (binding)	= 320 nM	Inhibition of human recombinant full length Arg1 using L-arginine as substrate assessed as urea level after 1 hr by colorimetric assay	ChEMBL.	23453840
IC50 (binding)	= 320 nM	Inhibition of human arginase-1 assessed as L-arginine conversion to L-ornithine measured as urea level after 1 hr by colorimetric assay	ChEMBL.	23886684
IC50 (binding)	= 620 nM	Inhibition of human Arg2 by colorimetric assay	ChEMBL.	23453840
IC50 (binding)	= 620 nM	Inhibition of human arginase-2 assessed as L-arginine conversion to L-ornithine measured as urea level after 1 hr by colorimetric assay	ChEMBL.	23886684

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: CHEMBL2348486

Bibliographic References

2 literature references were 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 1754476