TDR Targets

Basic information

Technical information

Name: Unnamed compound
MW: 353.327 | Formula: C15H19N3O7
H donors: 5 H acceptors: 5 LogP: -0.28 Rotable bonds: 7
Rule of 5 violations (Lipinski): 1
SMILES: OC[C@H]1O/C(=N/OC(=O)Nc2ccccc2)/[C@@H]([C@H]([C@@H]1O)O)NC(=O)C
InChi: 1S/C15H19N3O7/c1-8(20)16-11-13(22)12(21)10(7-19)24-14(11)18-25-15(23)17-9-5-3-2-4-6-9/h2-6,10-13,19,21-22H,7H2,1H3,(H,16,20)(H,17,23)/b18-14+/t10-,11-,12-,13-/m1/s1
InChiKey: PBLNJFVQMUMOJY-JIJAQUFFSA-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	meningioma expressed antigen 5 (hyaluronidase)	Starlite/ChEMBL	References

Predicted pathogen targets for this compound

By orthology

Species	Potential target	Known druggable target/s	Ortholog Group
Echinococcus multilocularis	bifunctional protein NCOAT	Get druggable targets OG5_131612	All targets in OG5_131612
Echinococcus granulosus	bifunctional protein NCOAT	Get druggable targets OG5_131612	All targets in OG5_131612
Brugia malayi	Hyaluronidase family protein	Get druggable targets OG5_131612	All targets in OG5_131612
Schistosoma japonicum	ko:K01197 hyaluronoglucosaminidase [EC3.2.1.35], putative	Get druggable targets OG5_131612	All targets in OG5_131612
Schistosoma mansoni	aminopeptidase P homologue (M24 family)	Get druggable targets OG5_131612	All targets in OG5_131612
Schistosoma mansoni	Hyaluronidase	Get druggable targets OG5_131612	All targets in OG5_131612
Schistosoma japonicum	Bifunctional protein NCOAT, putative	Get druggable targets OG5_131612	All targets in OG5_131612
Schistosoma japonicum	ko:K01262 X-Pro aminopeptidase [EC3.4.11.9], putative	Get druggable targets OG5_131612	All targets in OG5_131612
Loa Loa (eye worm)	hypothetical protein	Get druggable targets OG5_131612	All targets in OG5_131612
Loa Loa (eye worm)	hyaluronidase	Get druggable targets OG5_131612	All targets in OG5_131612

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
Brugia malayi	Cathepsin L-like precursor	0.0014	0.0026	0.0026
Echinococcus multilocularis	cathepsin L cysteine protease	0.0014	0.0026	0.0026
Brugia malayi	Corticotropin releasing factor receptor 2 precursor, putative	0.0042	0.091	0.091
Plasmodium falciparum	importin beta, putative	0.0024	0.0334	1
Trypanosoma brucei	cysteine peptidase, Clan CA, family C1, Cathepsin L-like	0.0054	0.1283	1
Schistosoma mansoni	ran	0.0017	0.0135	0.0135
Brugia malayi	RNA recognition motif domain containing protein	0.0053	0.1271	0.1271
Leishmania major	importin beta-1 subunit, putative	0.0019	0.0191	0.1315
Schistosoma mansoni	tar DNA-binding protein	0.0053	0.1271	0.1271
Loa Loa (eye worm)	GTP-binding regulatory protein Gs alpha-S chain	0.0038	0.0801	0.0801
Brugia malayi	Cathepsin L-like precursor	0.0014	0.0026	0.0026
Echinococcus granulosus	cathepsin L cysteine proteinase	0.0014	0.0026	0.0026
Schistosoma mansoni	hypothetical protein	0.004	0.0867	0.0867
Echinococcus multilocularis	guanine nucleotide binding protein G(s) subunit	0.0038	0.0801	0.0801
Schistosoma mansoni	importin beta-1	0.0024	0.0334	0.0334
Giardia lamblia	GTP-binding nuclear protein RAN/TC4	0.0017	0.0135	0.5
Loa Loa (eye worm)	hypothetical protein	0.0024	0.0334	0.0334
Brugia malayi	RNA, U transporter 1	0.0067	0.1727	0.1727
Brugia malayi	Iron-sulfur cluster assembly accessory protein	0.004	0.0867	0.0867
Trichomonas vaginalis	Importin beta-1 subunit, putative	0.0019	0.0191	1
Brugia malayi	Cathepsin L-like precursor	0.0014	0.0026	0.0026
Brugia malayi	TAR-binding protein	0.0053	0.1271	0.1271
Plasmodium vivax	importin-beta 2, putative	0.0024	0.0334	1
Schistosoma mansoni	aminopeptidase P homologue (M24 family)	0.0327	1	1
Trypanosoma cruzi	cruzipain precursor, putative	0.0054	0.1283	1
Loa Loa (eye worm)	hypothetical protein	0.0029	0.0489	0.0489
Trypanosoma brucei	cysteine peptidase, Clan CA, family C1, Cathepsin L-like	0.0054	0.1283	1
Trypanosoma brucei	cysteine peptidase, Clan CA, family C1, Cathepsin L-like	0.0054	0.1283	1
Loa Loa (eye worm)	RNA recognition domain-containing protein domain-containing protein	0.0053	0.1271	0.1271
Schistosoma mansoni	cathepsin F (C01 family)	0.0014	0.0026	0.0026
Echinococcus granulosus	importin subunit beta 1	0.0024	0.0334	0.0334
Echinococcus multilocularis	cathepsin l cysteine peptidase	0.0014	0.0026	0.0026
Brugia malayi	RNA binding protein	0.0053	0.1271	0.1271
Echinococcus granulosus	GTP binding nuclear protein Ran	0.0017	0.0135	0.0135
Schistosoma mansoni	tar DNA-binding protein	0.0053	0.1271	0.1271
Onchocerca volvulus		0.004	0.0867	1
Trichomonas vaginalis	Importin beta-1 subunit, putative	0.0019	0.0191	1
Trypanosoma brucei	cysteine peptidase, Clan CA, family C1, Cathepsin L-like	0.0054	0.1283	1
Echinococcus multilocularis	survival motor neuron protein 1	0.0198	0.5896	0.5896
Leishmania major	cathepsin L-like protease	0.0054	0.1283	1
Echinococcus multilocularis	snurportin 1	0.0253	0.7644	0.7644
Loa Loa (eye worm)	papain family cysteine protease containing protein	0.0014	0.0026	0.0026
Loa Loa (eye worm)	pigment dispersing factor receptor c	0.0042	0.091	0.091
Trypanosoma brucei	importin beta-1 subunit, putative	0.0024	0.0334	0.1737
Echinococcus multilocularis	cathepsin l cysteine peptidase	0.0014	0.0026	0.0026
Loa Loa (eye worm)	RNA binding protein	0.0053	0.1271	0.1271
Entamoeba histolytica	Ran family GTPase	0.0017	0.0135	0.6578
Schistosoma mansoni	Hyaluronidase	0.0327	1	1
Toxoplasma gondii	HEAT repeat-containing protein	0.0024	0.0334	1
Trypanosoma cruzi	cysteine peptidase, putative	0.0054	0.1283	1
Trypanosoma cruzi	GTP-binding nuclear protein rtb2, putative	0.0017	0.0135	0.0865
Echinococcus multilocularis	cathepsin L cysteine protease	0.0014	0.0026	0.0026
Brugia malayi	Cathepsin L-like precursor	0.0014	0.0026	0.0026
Echinococcus multilocularis	bifunctional protein NCOAT	0.0327	1	1
Schistosoma mansoni	Guanine nucleotide-binding protein G(s) subunit alpha (Adenylate cyclase-stimulating G alpha protein)	0.0038	0.0801	0.0801
Leishmania major	GTP-binding protein, putative	0.0017	0.0135	0.0865
Schistosoma mansoni	survival motor neuron protein	0.004	0.0867	0.0867
Trypanosoma brucei	cysteine peptidase, Clan CA, family C1, Cathepsin L-like	0.0054	0.1283	1
Echinococcus granulosus	snurportin 1	0.0253	0.7644	0.7644
Trypanosoma brucei	cysteine peptidase, Clan CA, family C1, Cathepsin L-like	0.0054	0.1283	1
Echinococcus multilocularis	importin subunit beta 1	0.0024	0.0334	0.0334
Echinococcus granulosus	cathepsin l cysteine peptidase	0.0014	0.0026	0.0026
Plasmodium falciparum	GTP-binding nuclear protein RAN/TC4	0.0017	0.0135	0.3528
Brugia malayi	Cathepsin L-like precursor	0.0014	0.0026	0.0026
Echinococcus multilocularis	guanine nucleotide binding protein G(s) subunit	0.0038	0.0801	0.0801
Loa Loa (eye worm)	TAR-binding protein	0.0053	0.1271	0.1271
Loa Loa (eye worm)	hypothetical protein	0.0042	0.091	0.091
Loa Loa (eye worm)	hypothetical protein	0.0139	0.4006	0.4006
Schistosoma mansoni	cathepsin F (C01 family)	0.0014	0.0026	0.0026
Schistosoma mansoni	Guanine nucleotide-binding protein G(s) subunit alpha (Adenylate cyclase-stimulating G alpha protein)	0.0038	0.0801	0.0801
Brugia malayi	latrophilin 2 splice variant baaae	0.0029	0.0489	0.0489
Brugia malayi	GTP-binding nuclear protein RAN/TC4	0.0017	0.0135	0.0135
Brugia malayi	Cathepsin L-like precursor	0.0014	0.0026	0.0026
Loa Loa (eye worm)	hypothetical protein	0.0014	0.0026	0.0026
Brugia malayi	Calcitonin receptor-like protein seb-1	0.0042	0.091	0.091
Leishmania major	cathepsin L-like protease	0.0054	0.1283	1
Trichomonas vaginalis	importin beta-1, putative	0.0019	0.0191	1
Schistosoma mansoni	Guanine nucleotide-binding protein G(s) subunit alpha (Adenylate cyclase-stimulating G alpha protein)	0.0038	0.0801	0.0801
Trypanosoma cruzi	importin beta-1 subunit, putative	0.0019	0.0191	0.1315
Brugia malayi	Importin beta-1 subunit	0.0024	0.0334	0.0334
Trypanosoma brucei	cysteine peptidase, Clan CA, family C1, Cathepsin L-like	0.0054	0.1283	1
Trypanosoma brucei	cysteine peptidase, Clan CA, family C1, Cathepsin L-like	0.0054	0.1283	1
Echinococcus granulosus	guanine nucleotide binding protein Gs subunit	0.0038	0.0801	0.0801
Trypanosoma cruzi	cysteine peptidase, putative	0.0054	0.1283	1
Trypanosoma brucei	cysteine peptidase, Clan CA, family C1, Cathepsin L-like	0.0054	0.1283	1
Schistosoma mansoni	ran	0.0017	0.0135	0.0135
Schistosoma mansoni	tar DNA-binding protein	0.0053	0.1271	0.1271
Loa Loa (eye worm)	Papain cysteine protease/cathepsin propeptide inhibitor-containing protein	0.0014	0.0026	0.0026
Echinococcus multilocularis	cysteine protease	0.0014	0.0026	0.0026
Trypanosoma cruzi	cysteine peptidase, clan CA, family C1, cathepsin L-like, putative	0.0049	0.1135	0.8824
Loa Loa (eye worm)	ctsf protein	0.0014	0.0026	0.0026
Toxoplasma gondii	GTP-binding nuclear protein ran/tc4	0.0017	0.0135	0.3528
Echinococcus granulosus	survival motor neuron protein 1	0.0198	0.5896	0.5896
Schistosoma mansoni	hypothetical protein	0.0253	0.7644	0.7644
Trypanosoma cruzi	cysteine peptidase, putative	0.0054	0.1283	1
Trypanosoma cruzi	major cysteine proteinase, putative	0.0042	0.0918	0.7098
Plasmodium vivax	GTP-binding nuclear protein RAN/TC4, putative	0.0017	0.0135	0.3528
Echinococcus granulosus	cathepsin l1	0.0014	0.0026	0.0026
Echinococcus multilocularis	cysteine protease	0.0014	0.0026	0.0026
Trypanosoma brucei	importin beta-1 subunit, putative	0.0024	0.0334	0.1737
Echinococcus granulosus	bifunctional protein NCOAT	0.0327	1	1
Loa Loa (eye worm)	GTP-binding nuclear protein RAN/TC4	0.0017	0.0135	0.0135
Leishmania major	cathepsin L-like protease	0.0054	0.1283	1
Trypanosoma cruzi	GTP-binding nuclear protein rtb2, putative	0.0017	0.0135	0.0865
Brugia malayi	Papain family cysteine protease containing protein	0.0014	0.0026	0.0026
Trypanosoma brucei	cysteine peptidase, Clan CA, family C1, Cathepsin L-like	0.0054	0.1283	1
Loa Loa (eye worm)	hypothetical protein	0.0198	0.5896	0.5896
Entamoeba histolytica	hypothetical protein	0.0019	0.0191	1
Schistosoma mansoni	tar DNA-binding protein	0.0053	0.1271	0.1271
Echinococcus granulosus	guanine nucleotide binding protein Gs subunit	0.0038	0.0801	0.0801
Schistosoma mansoni	hypothetical protein	0.0029	0.0489	0.0489
Loa Loa (eye worm)	hyaluronidase	0.0327	1	1
Echinococcus multilocularis	tar DNA binding protein	0.0053	0.1271	0.1271
Loa Loa (eye worm)	fibroinase	0.0014	0.0026	0.0026
Schistosoma mansoni	tar DNA-binding protein	0.0053	0.1271	0.1271
Echinococcus granulosus	tar DNA binding protein	0.0053	0.1271	0.1271
Brugia malayi	hypothetical protein	0.0198	0.5896	0.5896
Trichomonas vaginalis	ran, putative	0.0017	0.0135	0.6578
Loa Loa (eye worm)	nucleolar RNA-associated protein alpha	0.0253	0.7644	0.7644
Trypanosoma brucei	cysteine peptidase, Clan CA, family C1, Cathepsin L-like	0.0054	0.1283	1
Echinococcus multilocularis	GTP binding nuclear protein Ran	0.0017	0.0135	0.0135
Loa Loa (eye worm)	cysteine protease	0.0014	0.0026	0.0026
Brugia malayi	GTP-binding regulatory protein Gs alpha-S chain, putative	0.0038	0.0801	0.0801

Activities

Activity type	Activity value	Assay description	Source	Reference
Ki (binding)	= 46 nM	Inhibition of human OGA using 4-MU-GlcNAc as substrate after 30 mins by Dixon plot analysis	ChEMBL.	23058883

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: CHEMBL2160124

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 1717225