TDR Targets

Basic information

Technical information

TDR Targets ID: 1157509
Name: (3R)-3-[[2-[(5R)-3-(4-carbamimidoylphenyl)-4, 5-dihydro-1,2-oxazol-5-yl]acetyl]amino]pentan oic acid
MW: 346.381 | Formula: C17H22N4O4
H donors: 3 H acceptors: 3 LogP: 0.52 Rotable bonds: 9
Rule of 5 violations (Lipinski): 1
SMILES: CC[C@H](CC(=O)O)NC(=O)C[C@@H]1ON=C(C1)c1ccc(cc1)C(=N)N
InChi: 1S/C17H22N4O4/c1-2-12(7-16(23)24)20-15(22)9-13-8-14(21-25-13)10-3-5-11(6-4-10)17(18)19/h3-6,12-13H,2,7-9H2,1H3,(H3,18,19)(H,20,22)(H,23,24)/t12-,13-/m1/s1
InChiKey: FUSBHHUAUAZKDM-CHWSQXEVSA-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

(3R)-3-[[2-[(5R)-3-(4-carbamimidoylphenyl)-4,5-dihydroisoxazol-5-yl]acetyl]amino]pentanoic acid
(3R)-3-[[2-[(5R)-3-(4-carbamimidoylphenyl)-4,5-dihydroisoxazol-5-yl]-1-oxoethyl]amino]pentanoic acid
(3R)-3-[[2-[(5R)-3-(4-amidinophenyl)-4,5-dihydroisoxazol-5-yl]acetyl]amino]valeric acid
(3R)-3-[2-[(5R)-3-(4-carbamimidoylphenyl)-4,5-dihydro-1,2-oxazol-5-yl]ethanoylamino]pentanoic acid

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
Echinococcus granulosus	cpg binding protein	0.0031	0.4619	0.4355
Schistosoma mansoni	jumonji/arid domain-containing protein	0.0063	0.9918	0.9918
Loa Loa (eye worm)	hypothetical protein	0.0016	0.2036	0.1318
Leishmania major	hypothetical protein, conserved	0.0016	0.2036	0.5
Trichomonas vaginalis	chromodomain helicase DNA binding protein, putative	0.0007	0.042	0.5
Echinococcus granulosus	jumonji domain containing 1A	0.0016	0.2036	0.1603
Brugia malayi	jmjC domain containing protein	0.0063	0.9918	1
Trypanosoma brucei	JmjC domain, hydroxylase, putative	0.0016	0.2036	0.5
Schistosoma mansoni	ubiquitously transcribed sex (X/Y) chromosome tetratricopeptide repeat protein-related	0.0016	0.2036	0.2036
Loa Loa (eye worm)	CXXC zinc finger family protein	0.003	0.4331	0.3846
Brugia malayi	jmjC domain containing protein	0.0016	0.2036	0.1337
Schistosoma mansoni	phd/f-box containing protein	0.0016	0.2036	0.2036
Trichomonas vaginalis	chromodomain helicase DNA binding protein, putative	0.0007	0.042	0.5
Trypanosoma cruzi	JmjC domain, hydroxylase, putative	0.0016	0.2036	0.5
Trichomonas vaginalis	chromodomain helicase DNA binding protein, putative	0.0007	0.042	0.5
Plasmodium falciparum	JmjC domain-containing protein, putative	0.0016	0.2036	0.5
Loa Loa (eye worm)	jmjC domain-containing protein	0.0063	0.9918	1
Trypanosoma cruzi	JmjC domain, hydroxylase, putative	0.0016	0.2036	0.5
Schistosoma mansoni	cpg binding protein	0.003	0.4331	0.4331
Echinococcus multilocularis	lysine specific demethylase 5A	0.0061	0.963	1
Echinococcus multilocularis	JmjC domain containing protein 4	0.0016	0.2036	0.1654
Trichomonas vaginalis	conserved hypothetical protein	0.0007	0.042	0.5
Trichomonas vaginalis	chromodomain-helicase-DNA-binding protein, putative	0.0007	0.042	0.5
Echinococcus granulosus	JmjC domain containing protein 4	0.0016	0.2036	0.1603
Brugia malayi	jmjC domain containing protein	0.0061	0.963	0.9683
Loa Loa (eye worm)	jmjC domain-containing protein	0.0016	0.2036	0.1318
Trichomonas vaginalis	chromodomain helicase DNA binding protein, putative	0.0007	0.042	0.5
Trichomonas vaginalis	conserved hypothetical protein	0.0007	0.042	0.5
Brugia malayi	CXXC zinc finger family protein	0.003	0.4331	0.386
Toxoplasma gondii	histone lysine methyltransferase SET1	0.0056	0.8854	1
Loa Loa (eye worm)	jmjC domain-containing protein	0.0016	0.2036	0.1318
Echinococcus granulosus	lysine specific demethylase 5A	0.0063	0.9918	1
Loa Loa (eye worm)	hypothetical protein	0.0016	0.2036	0.1318
Trichomonas vaginalis	conserved hypothetical protein	0.0007	0.042	0.5
Schistosoma mansoni	phosphatidylserine receptor	0.0016	0.2036	0.2036
Brugia malayi	jmjC domain containing protein	0.0016	0.2036	0.1337
Echinococcus multilocularis	Transcription factor, JmjC domain containing protein	0.0061	0.963	1
Schistosoma mansoni	protein phosphatase 2C	0.0016	0.2036	0.2036
Onchocerca volvulus		0.003	0.4331	0.5
Schistosoma mansoni	jumonji domain containing protein	0.0016	0.2036	0.2036
Plasmodium vivax	JmjC domain containing protein	0.0016	0.2036	0.5
Echinococcus granulosus	Jumonji AT rich interactive domain 1B	0.0018	0.2324	0.1911
Trichomonas vaginalis	chromodomain-helicase-DNA-binding protein, putative	0.0007	0.042	0.5
Brugia malayi	jmjC domain containing protein	0.0016	0.2036	0.1337
Echinococcus multilocularis	lysine specific demethylase 6a	0.0016	0.2036	0.1654
Echinococcus multilocularis	Jumonji, AT rich interactive domain 1B	0.0018	0.2324	0.1971
Trichomonas vaginalis	chromodomain helicase DNA binding protein, putative	0.0007	0.042	0.5
Brugia malayi	jmjC domain containing protein	0.0016	0.2036	0.1337
Echinococcus granulosus	Transcription factor JmjC domain containing protein	0.0061	0.963	0.9693
Schistosoma mansoni	cpg binding protein	0.0031	0.4619	0.4619
Trichomonas vaginalis	conserved hypothetical protein	0.0007	0.042	0.5
Schistosoma mansoni	jumonji domain containing protein	0.0061	0.963	0.963
Trichomonas vaginalis	conserved hypothetical protein	0.0007	0.042	0.5
Trichomonas vaginalis	conserved hypothetical protein	0.0007	0.042	0.5
Schistosoma mansoni	jumonji/arid domain-containing protein	0.0063	0.9918	0.9918
Loa Loa (eye worm)	hypothetical protein	0.0016	0.2036	0.1318
Echinococcus granulosus	phd:f box containing protein	0.0016	0.2036	0.1603
Trichomonas vaginalis	chromodomain helicase DNA binding protein, putative	0.0007	0.042	0.5
Schistosoma mansoni	cpg binding protein	0.0031	0.4619	0.4619
Trichomonas vaginalis	conserved hypothetical protein	0.0007	0.042	0.5
Echinococcus multilocularis	histone lysine N methyltransferase MLL3	0.0009	0.0839	0.0339
Schistosoma mansoni	mixed-lineage leukemia protein mll	0.0007	0.0531	0.0531
Trichomonas vaginalis	conserved hypothetical protein	0.0007	0.042	0.5
Echinococcus multilocularis	cpg binding protein	0.0031	0.4619	0.4493
Loa Loa (eye worm)	jmjC domain-containing protein	0.0016	0.2036	0.1318
Echinococcus granulosus	lysine specific demethylase 6a	0.0016	0.2036	0.1603
Trichomonas vaginalis	helicase, putative	0.0007	0.042	0.5
Echinococcus granulosus	histone lysine N methyltransferase MLL3	0.0009	0.0839	0.0328
Trichomonas vaginalis	conserved hypothetical protein	0.0007	0.042	0.5
Echinococcus multilocularis	phd:f box containing protein	0.0016	0.2036	0.1654
Echinococcus multilocularis	jumonji domain containing 1A	0.0016	0.2036	0.1654

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: CHEMBL1179213

Bibliographic References

No literature references available for this target.

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Detailed information for compound 1157509