TDR Targets

Basic information

Technical information

Name: Unnamed compound
MW: 290.235 | Formula: C11H10N6O4
H donors: 1 H acceptors: 5 LogP: -0.42 Rotable bonds: 1
Rule of 5 violations (Lipinski): 1
SMILES: CC(=O)c1n[nH]c2n(c1=O)c1n(C)c(=O)n(c(=O)c1n2)C
InChi: 1S/C11H10N6O4/c1-4(18)5-9(20)17-7-6(12-10(17)14-13-5)8(19)16(3)11(21)15(7)2/h1-3H3,(H,12,14)
InChiKey: GDCXFGYFAFDQLM-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

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
Schistosoma mansoni	tyrosine kinase	0.0092	0.0757	0.0757
Trichomonas vaginalis	Clan MG, familly M24, aminopeptidase P-like metallopeptidase	0.1048	1	1
Echinococcus granulosus	methionine aminopeptidase type I	0.013	0.1122	0.1122
Schistosoma mansoni	tyrosine kinase	0.009	0.0738	0.0738
Loa Loa (eye worm)	methionine aminopeptidase type I	0.013	0.1122	0.1122
Trypanosoma brucei	metallo-peptidase, Clan MG, Family M24	0.1048	1	1
Toxoplasma gondii	methionine aminopeptidase 2, putative	0.1048	1	1
Plasmodium vivax	methionine aminopeptidase 2, putative	0.1048	1	1
Schistosoma mansoni	tyrosine kinase	0.0055	0.0399	0.0399
Mycobacterium ulcerans	aminopeptidase	0.013	0.1122	0.5
Loa Loa (eye worm)	hypothetical protein	0.0017	0.0026	0.0026
Loa Loa (eye worm)	hypothetical protein	0.013	0.1122	0.1122
Echinococcus granulosus	melanoma receptor tyrosine protein kinase	0.0092	0.0757	0.0757
Trypanosoma cruzi	metallo-peptidase, Clan MG, Family M24	0.1048	1	1
Echinococcus multilocularis	epidermal growth factor receptor	0.0171	0.1518	0.1496
Brugia malayi	metallopeptidase family M24 containing protein	0.013	0.1122	0.0754
Onchocerca volvulus	Methionine aminopeptidase 2 homolog	0.1048	1	1
Onchocerca volvulus	Tyrosine kinase homolog	0.0162	0.1431	0.0347
Schistosoma mansoni	aminopeptidase P1 (M24 family)	0.013	0.1122	0.1122
Schistosoma mansoni	proliferation-associated protein 2G4 38kDa (M24 family)	0.013	0.1122	0.1122
Mycobacterium leprae	PROBABLE METHIONINE AMINOPEPTIDASE MAPB (MAP) (PEPTIDASE M)	0.013	0.1122	0.5
Brugia malayi	Methionine aminopeptidase protein type I	0.013	0.1122	0.0754
Echinococcus multilocularis	methionyl aminopeptidase 1 (M24 family)	0.013	0.1122	0.1099
Loa Loa (eye worm)	hypothetical protein	0.013	0.1122	0.1122
Brugia malayi	metallopeptidase family M24 containing protein	0.013	0.1122	0.0754
Loa Loa (eye worm)	TK/INSR protein kinase	0.0055	0.0399	0.0399
Loa Loa (eye worm)	initiation factor 2-associated protein	0.1048	1	1
Echinococcus granulosus	epidermal growth factor receptor	0.0171	0.1518	0.1518
Echinococcus multilocularis	insulin receptor	0.0055	0.0399	0.0374
Leishmania major	methionine aminopeptidase 2, putative	0.1048	1	1
Mycobacterium ulcerans	cytoplasmic peptidase PepQ	0.013	0.1122	0.5
Loa Loa (eye worm)	DNA-binding protein	0.013	0.1122	0.1122
Mycobacterium ulcerans	dipeptidase PepE	0.013	0.1122	0.5
Trichomonas vaginalis	Clan MG, familly M24, aminopeptidase P-like metallopeptidase	0.1048	1	1
Mycobacterium leprae	Probable cytoplasmic peptidase PepQ	0.013	0.1122	0.5
Schistosoma mansoni	proliferation-associated protein 2G4 38kDa (M24 family)	0.013	0.1122	0.1122
Mycobacterium tuberculosis	Probable cytoplasmic peptidase PepQ	0.013	0.1122	0.5
Chlamydia trachomatis	methionine aminopeptidase	0.013	0.1122	0.5
Echinococcus multilocularis	methionyl aminopeptidase 2	0.1048	1	1
Onchocerca volvulus		0.0157	0.1386	0.0297
Schistosoma mansoni	tyrosine kinase	0.009	0.0738	0.0738
Echinococcus multilocularis	Xaa Pro aminopeptidase 3	0.013	0.1122	0.1099
Echinococcus granulosus	Proliferation associated protein 2G4	0.013	0.1122	0.1122
Echinococcus granulosus	methionyl aminopeptidase 2	0.1048	1	1
Brugia malayi	Immunoglobulin I-set domain containing protein	0.0173	0.1541	0.1189
Echinococcus granulosus	methionyl aminopeptidase 1 M24 family	0.013	0.1122	0.1122
Echinococcus granulosus	insulin growth factor 1 receptor beta	0.0055	0.0399	0.0399
Echinococcus multilocularis	FACT complex subunit SPT16	0.013	0.1122	0.1099
Treponema pallidum	aminopeptidase P	0.013	0.1122	0.5
Echinococcus multilocularis	xaa pro aminopeptidase	0.013	0.1122	0.1099
Brugia malayi	DNA-binding protein, 42 kDa containing protein	0.013	0.1122	0.0754
Brugia malayi	Furin-like cysteine rich region family protein	0.0171	0.1518	0.1166
Schistosoma mansoni	tyrosine kinase	0.0171	0.1518	0.1518
Schistosoma mansoni	Xaa-Pro dipeptidase (M24 family)	0.013	0.1122	0.1122
Trypanosoma brucei	methionine aminopeptidase 2, putative	0.1048	1	1
Trypanosoma cruzi	metallo-peptidase, Clan MG, Family M24	0.1048	1	1
Echinococcus granulosus	xaa Pro dipeptidase	0.013	0.1122	0.1122
Mycobacterium ulcerans	dipeptidase	0.013	0.1122	0.5
Echinococcus granulosus	xaa pro aminopeptidase	0.013	0.1122	0.1122
Schistosoma mansoni	chromatin-specific transcription elongation factor 140 kDa subunit (M24 family)	0.013	0.1122	0.1122
Entamoeba histolytica	methionine aminopeptidase, putative	0.1048	1	1
Echinococcus multilocularis	insulin growth factor 1 receptor beta	0.0055	0.0399	0.0374
Mycobacterium tuberculosis	Methionine aminopeptidase MapB (map) (peptidase M)	0.013	0.1122	0.5
Echinococcus granulosus	xaa Pro dipeptidase	0.013	0.1122	0.1122
Mycobacterium leprae	PROBABLE METHIONINE AMINOPEPTIDASE MAPA (MAP) (PEPTIDASE M) (MetAP)	0.013	0.1122	0.5
Treponema pallidum	methionine aminopeptidase (map)	0.013	0.1122	0.5
Brugia malayi	metallopeptidase family M24 containing protein	0.013	0.1122	0.0754
Wolbachia endosymbiont of Brugia malayi	Xaa-Pro aminopeptidase	0.013	0.1122	0.5
Mycobacterium tuberculosis	Methionine aminopeptidase MapA (map) (peptidase M) (MetAP)	0.013	0.1122	0.5
Echinococcus multilocularis	methionine aminopeptidase, type I	0.013	0.1122	0.1099
Wolbachia endosymbiont of Brugia malayi	methionine aminopeptidase	0.013	0.1122	0.5
Echinococcus multilocularis	xaa Pro dipeptidase	0.013	0.1122	0.1099
Schistosoma mansoni	tyrosine kinase	0.0092	0.0757	0.0757
Echinococcus multilocularis	methionyl aminopeptidase 1 (M24 family)	0.013	0.1122	0.1099
Echinococcus multilocularis		0.0053	0.0373	0.0348
Schistosoma mansoni	tyrosine kinase	0.009	0.0738	0.0738
Schistosoma mansoni	peptidase	0.013	0.1122	0.1122
Schistosoma mansoni	aminopeptidase P homologue (M24 family)	0.013	0.1122	0.1122
Giardia lamblia	Methionine aminopeptidase	0.1048	1	1
Mycobacterium ulcerans	methionine aminopeptidase	0.013	0.1122	0.5
Loa Loa (eye worm)	hypothetical protein	0.013	0.1122	0.1122
Schistosoma mansoni	methionyl aminopeptidase 1 (M24 family)	0.013	0.1122	0.1122
Echinococcus granulosus	insulin receptor	0.0055	0.0399	0.0399
Mycobacterium tuberculosis	Dipeptidase PepE	0.013	0.1122	0.5
Loa Loa (eye worm)	TK/EGFR protein kinase	0.0171	0.1518	0.1518
Echinococcus multilocularis	epidermal growth factor receptor	0.0092	0.0757	0.0733
Loa Loa (eye worm)	metallopeptidase family M24 containing protein	0.013	0.1122	0.1122
Echinococcus multilocularis	xaa Pro dipeptidase	0.013	0.1122	0.1099
Schistosoma mansoni	methionyl aminopeptidase 2 (M24 family)	0.1048	1	1
Schistosoma mansoni	methionyl aminopeptidase 1 (M24 family)	0.013	0.1122	0.1122
Plasmodium falciparum	methionine aminopeptidase 2	0.1048	1	1
Loa Loa (eye worm)	hypothetical protein	0.0017	0.0026	0.0026
Echinococcus granulosus	epidermal growth factor receptor	0.0092	0.0757	0.0757
Loa Loa (eye worm)	TK/KIN16 protein kinase	0.0173	0.1541	0.1541
Echinococcus granulosus	FACT complex subunit SPT16	0.013	0.1122	0.1122
Trichomonas vaginalis	Clan MG, familly M24, aminopeptidase P-like metallopeptidase	0.1048	1	1
Schistosoma mansoni	tyrosine kinase	0.0055	0.0399	0.0399
Mycobacterium ulcerans	methionine aminopeptidase MapB	0.013	0.1122	0.5
Echinococcus granulosus	roundabout 2	0.0017	0.0026	0.0026
Echinococcus multilocularis	Proliferation associated protein 2G4	0.013	0.1122	0.1099
Trichomonas vaginalis	Clan MG, familly M24, aminopeptidase P-like metallopeptidase	0.1048	1	1
Echinococcus granulosus	Xaa Pro aminopeptidase 3	0.013	0.1122	0.1122
Chlamydia trachomatis	aminopeptidase P	0.013	0.1122	0.5

Activities

Activity type	Activity value	Assay description	Source	Reference
IC50 (ADMET)	> 2 10'-4M	Cytotoxicity against Homo sapiens (human) CEM cells by XTT assay	ChEMBL.	No reference
IZ (functional)	= 13 mm	Antimicrobial activity against Saccharomyces cerevisiae ATCC 9763 after 48 hr by agar cup diffusion technique	ChEMBL.	No reference
IZ (functional)	= 13 mm	Antimicrobial activity against Candida albicans NCTC 2708 after 48 hr by agar cup diffusion technique	ChEMBL.	No reference
IZ (functional)	= 14 mm	Antimicrobial activity against Escherichia coli 5933 after 24 hr by agar cup diffusion technique	ChEMBL.	No reference

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: CHEMBL2237801

Bibliographic References

No literature references available for this target.

If you have references for this compound, please enter them in a user comment (below) or Contact us.

Detailed information for compound 1811702