TDR Targets

Basic information

Technical information

Name: Unnamed compound
MW: 168.09 | Formula: C8H12N2O2
H donors: 2 H acceptors: 4 LogP: -1.12 Rotable bonds: 2
Rule of 5 violations (Lipinski): 0
SMILES: OCc1nc(C)c(nc1C)CO
InChi: InChI=1S/C8H12N2O2/c1-5-7(3-11)10-6(2)8(4-12)9-5/h11-12H,3-4H2,1-2H3
InChiKey: DLCVYRQRINMKBM-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
Echinococcus multilocularis	aldo keto reductase family 1, member B4	0.0093	0.087	0.2965
Echinococcus multilocularis	geminin	0.0168	0.1702	0.5804
Echinococcus granulosus	aldo keto reductase	0.0093	0.087	0.5108
Echinococcus multilocularis	aldo keto reductase	0.0093	0.087	0.2965
Schistosoma mansoni	hypothetical protein	0.0036	0.0224	0.0332
Plasmodium falciparum	ataxin-2 like protein, putative	0.0025	0.0104	0.8173
Echinococcus multilocularis	voltage gated potassium channel subunit	0.0027	0.0128	0.0435
Toxoplasma gondii	aldo-keto reductase	0.0027	0.0128	0.1467
Echinococcus multilocularis	conserved hypothetical protein	0.0277	0.2933	1
Brugia malayi	hypothetical protein	0.0016	0.0005	0.0005
Schistosoma mansoni	hypothetical protein	0.0168	0.1702	0.2526
Entamoeba histolytica	aldose reductase, putative	0.0093	0.087	1
Trypanosoma brucei	aldo-keto reductase, putative	0.0093	0.087	0.129
Schistosoma mansoni	aldo-keto reductase	0.0093	0.087	0.129
Echinococcus multilocularis	conserved hypothetical protein	0.0277	0.2933	1
Toxoplasma gondii	oxidoreductase, aldo/keto reductase family protein	0.0027	0.0128	0.1467
Brugia malayi	oxidoreductase, aldo/keto reductase family protein	0.0093	0.087	0.087
Loa Loa (eye worm)	GTP-binding regulatory protein Gs alpha-S chain	0.0045	0.0332	0.0423
Loa Loa (eye worm)	oxidoreductase	0.0093	0.087	0.1109
Loa Loa (eye worm)	hypothetical protein	0.0025	0.0104	0.0133
Leishmania major	prostaglandin f synthase, putative	0.0093	0.087	1
Giardia lamblia	Aldose reductase	0.0093	0.087	0.5
Echinococcus granulosus	aldo keto reductase family 1, member B4	0.0027	0.0128	0.0749
Echinococcus granulosus	geminin	0.0168	0.1702	1
Loa Loa (eye worm)	oxidoreductase	0.0093	0.087	0.1109
Echinococcus granulosus	hypothetical protein	0.0093	0.087	0.5108
Schistosoma mansoni	pol-related	0.0093	0.087	0.129
Brugia malayi	hypothetical protein	0.0036	0.0224	0.0224
Echinococcus multilocularis	aldo keto reductase	0.0093	0.087	0.2965
Schistosoma mansoni	hypothetical protein	0.0617	0.6741	1
Echinococcus granulosus	aldo keto reductase family 1 member B4	0.0093	0.087	0.5108
Schistosoma mansoni	transcription factor LCR-F1	0.0036	0.0224	0.0332
Trichomonas vaginalis	aldo-keto reductase, putative	0.0093	0.087	1
Toxoplasma gondii	aldose reductase, putative	0.0093	0.087	1
Trichomonas vaginalis	aldo/keto reductase, putative	0.0093	0.087	1
Echinococcus granulosus	aldo keto reductase family 1 member B4	0.0093	0.087	0.5108
Echinococcus multilocularis	guanine nucleotide binding protein G(s) subunit	0.0045	0.0332	0.1131
Echinococcus multilocularis	aldo keto reductase family 1, member B4	0.0093	0.087	0.2965
Toxoplasma gondii	LsmAD domain-containing protein	0.0025	0.0104	0.1199
Trypanosoma cruzi	PAB1-binding protein , putative	0.0025	0.0104	0.1199
Trichomonas vaginalis	aldo-keto reductase, putative	0.0093	0.087	1
Entamoeba histolytica	hypothetical protein	0.0036	0.0224	0.1294
Echinococcus multilocularis	aldo keto reductase family 1, member B4	0.0093	0.087	0.2965
Echinococcus multilocularis	aldo keto reductase family 1, member B4	0.0093	0.087	0.2965
Brugia malayi	NADH-dependent xylose reductase	0.0027	0.0128	0.0128
Onchocerca volvulus		0.0093	0.087	1
Mycobacterium leprae	PROBABLE OXIDOREDUCTASE	0.0093	0.087	1
Schistosoma mansoni	Guanine nucleotide-binding protein G(s) subunit alpha (Adenylate cyclase-stimulating G alpha protein)	0.0045	0.0332	0.0492
Echinococcus multilocularis	guanine nucleotide binding protein G(s) subunit	0.0045	0.0332	0.1131
Schistosoma mansoni	aldo-keto reductase	0.0093	0.087	0.129
Mycobacterium leprae	Conserved hypothetical protein	0.0066	0.0567	0.5922
Schistosoma mansoni	potassium channel beta	0.0027	0.0128	0.0189
Echinococcus multilocularis	aldo keto reductase family 1, member B4	0.0093	0.087	0.2965
Leishmania major	aldo/keto reductase, putative,aldo/keto reductase family-like protein	0.0027	0.0128	0.1467
Onchocerca volvulus		0.0093	0.087	1
Echinococcus granulosus	aldo keto reductase family 1 member B4	0.0093	0.087	0.5108
Trichomonas vaginalis	aldo-keto reductase, putative	0.0093	0.087	1
Trichomonas vaginalis	dihydrodiol dehydrogenase, putative	0.0093	0.087	1
Trichomonas vaginalis	aldo-keto reductase, putative	0.0093	0.087	1
Brugia malayi	glutamate-cysteine ligase modifier subunit	0.0027	0.0128	0.0128
Trichomonas vaginalis	aldo-keto reductase, putative	0.0093	0.087	1
Echinococcus multilocularis	aldo keto reductase	0.0093	0.087	0.2965
Echinococcus granulosus	aldo keto reductase	0.0093	0.087	0.5108
Onchocerca volvulus		0.0093	0.087	1
Trypanosoma brucei	PAB1-binding protein , putative	0.0025	0.0104	0.0155
Brugia malayi	MH2 domain containing protein	0.0118	0.1148	0.1148
Echinococcus multilocularis	aldehyde reductase	0.0066	0.0567	0.1933
Echinococcus granulosus	voltage gated potassium channel subunit	0.0027	0.0128	0.0749
Entamoeba histolytica	hypothetical protein	0.0036	0.0224	0.1294
Mycobacterium ulcerans	oxidoreductase	0.0093	0.087	1
Leishmania major	aldo-keto reductase-like protein	0.0093	0.087	1
Trichomonas vaginalis	aldo-keto reductase, putative	0.0093	0.087	1
Leishmania major	aldehyde reductase, putative,oxidoreductase, putative	0.0093	0.087	1
Trichomonas vaginalis	aldo-keto reductase, putative	0.0093	0.087	1
Toxoplasma gondii	aldo/keto reductase family oxidoreductase	0.0027	0.0128	0.1467
Entamoeba histolytica	aldose reductase, putative	0.0093	0.087	1
Mycobacterium tuberculosis	Probable oxidoreductase	0.0093	0.087	1
Entamoeba histolytica	hypothetical protein	0.0036	0.0224	0.1294
Trypanosoma cruzi	aldo/keto reductase, putative	0.0027	0.0128	0.1467
Echinococcus multilocularis	aldo keto reductase family 1, member B4	0.0093	0.087	0.2965
Schistosoma mansoni	Guanine nucleotide-binding protein G(s) subunit alpha (Adenylate cyclase-stimulating G alpha protein)	0.0045	0.0332	0.0492
Giardia lamblia	Aldose reductase	0.0093	0.087	0.5
Echinococcus multilocularis	aldo keto reductase family 1, member B4	0.0093	0.087	0.2965
Echinococcus multilocularis	aldo keto reductase family 1, member B4	0.0093	0.087	0.2965
Echinococcus granulosus	aldo keto reductase family 1 member B4	0.0093	0.087	0.5108
Onchocerca volvulus		0.0093	0.087	1
Loa Loa (eye worm)	MH2 domain-containing protein	0.0118	0.1148	0.1463
Loa Loa (eye worm)	hypothetical protein	0.0385	0.4133	0.5269
Plasmodium vivax	ataxin-2 like protein, putative	0.0025	0.0104	0.8173
Loa Loa (eye worm)	oxidoreductase	0.0093	0.087	0.1109
Brugia malayi	GTP-binding regulatory protein Gs alpha-S chain, putative	0.0045	0.0332	0.0332
Echinococcus granulosus	aldo keto reductase	0.0093	0.087	0.5108
Echinococcus granulosus	aldo keto reductase family 1 member B4	0.0093	0.087	0.5108
Trichomonas vaginalis	aldo-keto reductase, putative	0.0093	0.087	1
Trichomonas vaginalis	aldo-keto reductase, putative	0.0093	0.087	1
Onchocerca volvulus		0.0093	0.087	1
Loa Loa (eye worm)	hypothetical protein	0.0093	0.087	0.1109
Echinococcus granulosus	aldo keto reductase family 1 member B4	0.0093	0.087	0.5108
Schistosoma mansoni	hypothetical protein	0.0168	0.1702	0.2526
Loa Loa (eye worm)	oxidoreductase	0.0093	0.087	0.1109
Onchocerca volvulus		0.0093	0.087	1
Loa Loa (eye worm)	oxidoreductase	0.0093	0.087	0.1109
Trypanosoma brucei	RNA helicase, putative	0.0617	0.6741	1
Loa Loa (eye worm)	hypothetical protein	0.0192	0.1976	0.2519
Plasmodium falciparum	aldo-keto reductase, putative	0.0027	0.0128	1
Loa Loa (eye worm)	glutamate-cysteine ligase modifier subunit	0.0027	0.0128	0.0163
Trichomonas vaginalis	dihydrodiol dehydrogenase, putative	0.0093	0.087	1
Schistosoma mansoni	glucose-6-phosphatase	0.0279	0.2953	0.4381
Echinococcus multilocularis	aldo keto reductase	0.0093	0.087	0.2965
Brugia malayi	oxidoreductase, aldo/keto reductase family protein	0.0093	0.087	0.087
Echinococcus multilocularis	aldo keto reductase family 1, member B4	0.0093	0.087	0.2965
Trichomonas vaginalis	aldo-keto reductase, putative	0.0093	0.087	1
Trypanosoma cruzi	PAB1-binding protein , putative	0.0025	0.0104	0.1199
Schistosoma mansoni	Guanine nucleotide-binding protein G(s) subunit alpha (Adenylate cyclase-stimulating G alpha protein)	0.0045	0.0332	0.0492
Trypanosoma cruzi	aldo/keto reductase, putative	0.0093	0.087	1
Plasmodium vivax	aldehyde reductase, putative	0.0027	0.0128	1
Brugia malayi	hypothetical protein	0.0025	0.0104	0.0104
Trypanosoma cruzi	aldo-keto reductase	0.0093	0.087	1
Loa Loa (eye worm)	transcription factor SMAD2	0.0118	0.1148	0.1463
Entamoeba histolytica	aldose reductase, putative	0.0093	0.087	1
Leishmania major	prostaglandin f2-alpha synthase/D-arabinose dehydrogenase	0.0093	0.087	1
Trichomonas vaginalis	aldo-keto reductase, putative	0.0093	0.087	1
Echinococcus multilocularis	aldo keto reductase family 1, member B4	0.0093	0.087	0.2965
Trichomonas vaginalis	dihydrodiol dehydrogenase, putative	0.0093	0.087	1
Echinococcus granulosus	aldo keto reductase family 1 member B4	0.0093	0.087	0.5108
Trypanosoma brucei	aldo/keto reductase, putative	0.0027	0.0128	0.0189
Trichomonas vaginalis	aldo-keto reductase, putative	0.0093	0.087	1
Echinococcus granulosus	guanine nucleotide binding protein Gs subunit	0.0045	0.0332	0.1949
Brugia malayi	oxidoreductase, aldo/keto reductase family protein	0.0093	0.087	0.087
Echinococcus granulosus	aldehyde reductase	0.0066	0.0567	0.3331
Schistosoma mansoni	alzheimer's disease beta-amyloid related	0.0331	0.3535	0.5245
Echinococcus multilocularis	aldo keto reductase family 1, member B4	0.0093	0.087	0.2965
Entamoeba histolytica	hypothetical protein	0.0036	0.0224	0.1294
Trichomonas vaginalis	aldo/keto reductase, putative	0.0093	0.087	1
Echinococcus multilocularis	Basic leucine zipper (bZIP) transcription	0.0036	0.0224	0.0762
Brugia malayi	oxidoreductase, aldo/keto reductase family protein	0.0093	0.087	0.087
Echinococcus granulosus	guanine nucleotide binding protein Gs subunit	0.0045	0.0332	0.1949
Echinococcus granulosus	aldo keto reductase family 1 member B4	0.0093	0.087	0.5108
Trypanosoma brucei	prostaglandin f synthase	0.0093	0.087	0.129
Echinococcus granulosus	aldo keto reductase family 1 member B4	0.0093	0.087	0.5108
Plasmodium vivax	oxidoreductase, aldo/keto reductase domain containing protein	0.0027	0.0128	1
Echinococcus granulosus	Basic leucine zipper bZIP transcription	0.0036	0.0224	0.1313
Loa Loa (eye worm)	hypothetical protein	0.0716	0.7843	1
Trichomonas vaginalis	aldo/keto reductase, putative	0.0093	0.087	1
Mycobacterium tuberculosis	Conserved protein	0.0027	0.0128	0.1467
Plasmodium falciparum	aldehyde reductase, putative	0.0027	0.0128	1
Plasmodium falciparum	ataxin-2 like protein, putative	0.0025	0.0104	0.8173
Leishmania major	hypothetical protein, conserved	0.0025	0.0104	0.1199

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: CHEMBL3753625

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 2193568