TDR Targets

Basic information

Technical information

Name: Unnamed compound
MW: 495.485 | Formula: C24H25N5O7
H donors: 5 H acceptors: 8 LogP: -0.01 Rotable bonds: 9
Rule of 5 violations (Lipinski): 1
SMILES: N[C@H](C(=O)O)Cc1c[nH]cn1.OC(=O)C(C(=O)O)Oc1nn(c2c1cccc2)Cc1ccc(cc1)C
InChi: 1S/C18H16N2O5.C6H9N3O2/c1-11-6-8-12(9-7-11)10-20-14-5-3-2-4-13(14)16(19-20)25-15(17(21)22)18(23)24;7-5(6(10)11)1-4-2-8-3-9-4/h2-9,15H,10H2,1H3,(H,21,22)(H,23,24);2-3,5H,1,7H2,(H,8,9)(H,10,11)/t;5-/m.0/s1
InChiKey: BAUKIHZRQMKTSV-ZSCHJXSPSA-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

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	beta-adrenergic receptor kinase	0.0095	0.3667	0.9895
Echinococcus multilocularis	Carboxy terminal domain RNA polymerase II	0.0013	0.0124	0.0335
Schistosoma mansoni	kinase	0.0049	0.1681	0.4536
Leishmania major	protein kinase, putative,polo-like protein kinase, putative	0.0096	0.3706	1
Trichomonas vaginalis	CAMK family protein kinase	0.0048	0.1627	0.1627
Trichomonas vaginalis	CAMK family protein kinase	0.0096	0.3706	0.3706
Echinococcus granulosus	5'partial\|histone lysine N methyltransferase SETDB2	0.003	0.0843	0.2276
Loa Loa (eye worm)	AGC/GRK/GRK protein kinase	0.001	0.0024	0.0027
Plasmodium vivax	SET domain protein, putative	0.0031	0.0892	1
Schistosoma mansoni	histone-lysine n-methyltransferase setb1	0.0031	0.0892	0.2406
Trichomonas vaginalis	CAMK family protein kinase	0.0096	0.3706	0.3706
Echinococcus granulosus	CTD small phosphatase protein like	0.0013	0.0124	0.0335
Echinococcus granulosus	histone lysine methyltransferase setb	0.0031	0.0892	0.2406
Trypanosoma cruzi	polo-like protein kinase, putative	0.0096	0.3706	1
Loa Loa (eye worm)	hypothetical protein	0.0013	0.0124	0.0142
Loa Loa (eye worm)	hypothetical protein	0.0013	0.0117	0.0135
Echinococcus multilocularis	serine:threonine protein kinase PLK1	0.0096	0.3706	1
Schistosoma mansoni	serine/threonine protein kinase	0.0095	0.3667	0.9895
Trypanosoma cruzi	polo-like protein kinase, putative	0.0096	0.3706	1
Schistosoma mansoni	serine/threonine protein kinase	0.0095	0.3667	0.9895
Echinococcus granulosus	Carboxy terminal domain RNA polymerase II	0.0013	0.0124	0.0335
Trichomonas vaginalis	CAMK family protein kinase	0.0096	0.3706	0.3706
Trichomonas vaginalis	CAMK family protein kinase	0.0048	0.1627	0.1627
Echinococcus multilocularis	histone lysine N methyltransferase SETMAR	0.0031	0.0892	0.2406
Trichomonas vaginalis	nuclear lim interactor-interacting factor, putative	0.0013	0.0124	0.0124
Loa Loa (eye worm)	PLK/PLK1 protein kinase	0.0096	0.3706	0.4243
Echinococcus multilocularis	histone lysine methyltransferase setb histone lysine methyltransferase eggless	0.0031	0.0892	0.2406
Schistosoma mansoni	histone-lysine n-methyltransferase setb1	0.0031	0.0892	0.2406
Brugia malayi	Probable G protein-coupled receptor kinase F19C6.1, putative	0.001	0.0024	0.0027
Brugia malayi	Carboxy-terminal domain RNA polymerase II polypeptide A smallphosphatase 1	0.0013	0.0124	0.0142
Schistosoma mansoni	histone-lysine n-methyltransferase suv9	0.0031	0.0892	0.2406
Trichomonas vaginalis	nuclear lim interactor-interacting factor, putative	0.0013	0.0124	0.0124
Schistosoma mansoni	hypothetical protein	0.0013	0.0117	0.0317
Echinococcus multilocularis		0.0013	0.0124	0.0335
Brugia malayi	Pre-SET motif family protein	0.0031	0.0892	0.1021
Trichomonas vaginalis	CAMK family protein kinase	0.0096	0.3706	0.3706
Onchocerca volvulus	Serine\/threonine kinase homolog	0.0096	0.3706	0.309
Giardia lamblia	Kinase, PLK	0.0096	0.3706	1
Loa Loa (eye worm)	AGC/GRK/BARK protein kinase	0.0095	0.3667	0.4198
Brugia malayi	Pre-SET motif family protein	0.0214	0.8735	1
Trichomonas vaginalis	nuclear lim interactor-interacting factor, putative	0.0013	0.0124	0.0124
Trichomonas vaginalis	set domain proteins, putative	0.0243	1	1
Echinococcus granulosus	serine:threonine protein kinase PLK1	0.0096	0.3706	1
Trichomonas vaginalis	CAMK family protein kinase	0.0096	0.3706	0.3706
Trichomonas vaginalis	CAMK family protein kinase	0.0096	0.3706	0.3706
Loa Loa (eye worm)	pre-SET domain-containing protein family protein	0.0214	0.8735	1
Trichomonas vaginalis	CAMK family protein kinase	0.0096	0.3706	0.3706
Schistosoma mansoni	serine/threonine protein kinase	0.0096	0.3706	1
Toxoplasma gondii	histone lysine methyltransferase SET/SUV39	0.0031	0.0892	1
Echinococcus multilocularis	beta adrenergic receptor kinase	0.0095	0.3667	0.9895
Trichomonas vaginalis	dullard protein, putative	0.0013	0.0124	0.0124
Entamoeba histolytica	NLI interacting factor-like phosphatase domain-containing protein	0.0013	0.0124	0.0335
Brugia malayi	serine/threonine-protein kinase plk-2	0.0096	0.3706	0.4243
Trichomonas vaginalis	dullard protein, putative	0.0013	0.0124	0.0124
Schistosoma mansoni	histone-lysine n-methyltransferase setb1	0.0031	0.0892	0.2406
Schistosoma mansoni	serine/threonine protein kinase	0.001	0.0024	0.0064
Schistosoma mansoni	nuclear lim interactor-interacting factor (nli-interacting factor) (nli-if)	0.0013	0.0124	0.0335
Trypanosoma brucei	polo-like protein kinase	0.0096	0.3706	1
Schistosoma mansoni	nuclear lim interactor-interacting factor (nli-interacting factor) (nli-if)	0.0013	0.0124	0.0335
Plasmodium falciparum	NLI interacting factor-like phosphatase, putative	0.0013	0.0124	0.5
Echinococcus multilocularis	G protein coupled receptor kinase 1	0.0086	0.3245	0.8757
Trichomonas vaginalis	dullard protein, putative	0.0013	0.0124	0.0124
Entamoeba histolytica	serine/threonine protein kinase, putative	0.0096	0.3706	1
Loa Loa (eye worm)	hypothetical protein	0.0031	0.0892	0.1021
Echinococcus granulosus	G protein coupled receptor kinase 1	0.0086	0.3245	0.8757
Trichomonas vaginalis	nuclear lim interactor-interacting factor, putative	0.0013	0.0124	0.0124

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: CHEMBL1089163

Bibliographic References

No literature references available for this target.

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Detailed information for compound 1131565