TDR Targets

Basic information

Technical information

Name: Unnamed compound
MW: 269.259 | Formula: C13H11N5O2
H donors: 2 H acceptors: 6 LogP: 0.75 Rotable bonds: 1
Rule of 5 violations (Lipinski): 1
SMILES: O[C@@H]1Cc2c([C@@H]1n1nnc3c1ncnc3O)cccc2
InChi: 1S/C13H11N5O2/c19-9-5-7-3-1-2-4-8(7)11(9)18-12-10(16-17-18)13(20)15-6-14-12/h1-4,6,9,11,19H,5H2,(H,14,15,20)/t9-,11+/m1/s1
InChiKey: LYGHQSJFSMVZEF-KOLCDFICSA-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
Loa Loa (eye worm)	hypothetical protein	0.0117	0.0408	0.0418
Loa Loa (eye worm)	hypothetical protein	0.0062	0.0193	0.0197
Echinococcus granulosus	nuclear receptor 2DBD gamma	0.0117	0.0408	0.2217
Loa Loa (eye worm)	hypothetical protein	0.0117	0.0408	0.0418
Brugia malayi	Steroid receptor seven-up type 2	0.0117	0.0408	0.0418
Echinococcus granulosus	neuropeptide s receptor	0.0483	0.184	1
Onchocerca volvulus	Protein ultraspiracle homolog	0.0117	0.0408	0.0408
Echinococcus multilocularis	nuclear receptor 2DBD gamma	0.0055	0.0167	0.0906
Echinococcus multilocularis	Nuclear hormone receptor family member nhr 41	0.0117	0.0408	0.2217
Brugia malayi	photoreceptor-specific nuclear receptor	0.0117	0.0408	0.0418
Echinococcus multilocularis	guanine nucleotide binding protein G(s) subunit	0.0047	0.0134	0.073
Loa Loa (eye worm)	hypothetical protein	0.0055	0.0167	0.0171
Echinococcus granulosus	FTZ F1 alpha	0.0117	0.0408	0.2217
Echinococcus multilocularis	dipeptidyl aminopeptidaseprotein	0.0127	0.0446	0.2422
Onchocerca volvulus	Nuclear receptor subfamily 6 group A member 1 homolog	0.0055	0.0167	0.0167
Echinococcus granulosus	hepatocyte nuclear factor 4 alpha	0.0117	0.0408	0.2217
Loa Loa (eye worm)	hypothetical protein	0.0055	0.0167	0.0171
Echinococcus granulosus	Nuclear hormone receptor HR96	0.0055	0.0167	0.0906
Echinococcus granulosus	p2X purinoceptor 4	0.0033	0.0081	0.0438
Schistosoma mansoni	nuclear receptor	0.0055	0.0167	0.1912
Schistosoma mansoni	retinoid-x-receptor (RXR)	0.0117	0.0408	0.4677
Echinococcus granulosus	guanine nucleotide binding protein Gs subunit	0.0047	0.0134	0.073
Trypanosoma cruzi	serine peptidase, Clan SC, Family S9B	0.0043	0.0118	0.5
Echinococcus multilocularis	COUP TF:Svp nuclear hormone receptor	0.0117	0.0408	0.2217
Schistosoma mansoni	nuclear hormone receptor	0.0117	0.0408	0.4677
Loa Loa (eye worm)	hypothetical protein	0.0062	0.0193	0.0197
Loa Loa (eye worm)	hypothetical protein	0.0125	0.0441	0.0452
Schistosoma mansoni	FTZ-F1 nuclear receptor-like protein	0.0117	0.0408	0.4677
Brugia malayi	prolyl oligopeptidase family protein	0.0043	0.0118	0.0121
Brugia malayi	conserved hypotetical protein	0.0055	0.0167	0.0171
Brugia malayi	Nuclear hormone receptor E75	0.0055	0.0167	0.0171
Schistosoma mansoni	retinoic acid receptor RXR	0.0117	0.0408	0.4677
Schistosoma mansoni	coup transcription factor	0.0117	0.0408	0.4677
Echinococcus multilocularis	Nuclear hormone receptor HR96	0.0055	0.0167	0.0906
Loa Loa (eye worm)	hypothetical protein	0.0062	0.0193	0.0197
Brugia malayi	ecdysteroid receptor	0.0117	0.0408	0.0418
Echinococcus granulosus	thyroid hormone receptor alpha	0.0055	0.0167	0.0906
Brugia malayi	hypothetical protein	0.0062	0.0193	0.0197
Schistosoma mansoni	photoreceptor-specific nuclear receptor related	0.0117	0.0408	0.4677
Loa Loa (eye worm)	hypothetical protein	0.0055	0.0167	0.0171
Schistosoma mansoni	nuclear hormone receptor nor-1/nor-2	0.0117	0.0408	0.4677
Brugia malayi	tailless protein	0.0055	0.0167	0.0171
Echinococcus multilocularis	neuropeptide receptor A26	0.0483	0.184	1
Loa Loa (eye worm)	prolyl oligopeptidase	0.0127	0.0446	0.0457
Echinococcus multilocularis	p2X purinoceptor 4	0.0033	0.0081	0.0438
Echinococcus granulosus	nuclear receptor subfamily 4 group A	0.0055	0.0167	0.0906
Echinococcus multilocularis	retinoic acid receptor rxr beta a retinoic acid receptor rxr alpha a retinoic acid receptor rxr alpha	0.0055	0.0167	0.0906
Loa Loa (eye worm)	nuclear hormone receptor family member nhr-1	0.0117	0.0408	0.0418
Schistosoma mansoni	nuclear hormone receptor	0.0055	0.0167	0.1912
Trypanosoma cruzi	dipeptidyl-peptidase 8-like serine peptidase	0.0043	0.0118	0.5
Loa Loa (eye worm)	hypothetical protein	0.0117	0.0408	0.0418
Loa Loa (eye worm)	hypothetical protein	0.0062	0.0193	0.0197
Loa Loa (eye worm)	hypothetical protein	0.0117	0.0408	0.0418
Loa Loa (eye worm)	hypothetical protein	0.0062	0.0193	0.0197
Schistosoma mansoni	dipeptidyl-peptidase 9 (S09 family)	0.0043	0.0118	0.1348
Brugia malayi	MH2 domain containing protein	0.0122	0.0429	0.044
Brugia malayi	Nuclear hormone receptor family member nhr-1	0.0117	0.0408	0.0418
Loa Loa (eye worm)	hypothetical protein	0.0055	0.0167	0.0171
Brugia malayi	Nuclear hormone receptor-like 1	0.0062	0.0193	0.0197
Onchocerca volvulus		0.0117	0.0408	0.0408
Loa Loa (eye worm)	hypothetical protein	0.0055	0.0167	0.0171
Brugia malayi	Nuclear hormone receptor family member nhr-25	0.0117	0.0408	0.0418
Loa Loa (eye worm)	nuclear hormone receptor family member nhr-14	0.0117	0.0408	0.0418
Brugia malayi	nuclear hormone receptor family member odr-7	0.0055	0.0167	0.0171
Echinococcus multilocularis	ecdysone induced protein 78C	0.0117	0.0408	0.2217
Schistosoma mansoni	nuclear receptor 2DBD-gamma	0.0117	0.0408	0.4677
Brugia malayi	Nuclear hormone receptor family member nhr-14	0.0117	0.0408	0.0418
Brugia malayi	nuclear receptor NHR-88	0.0055	0.0167	0.0171
Trichomonas vaginalis	Clan SC, family S33, methylesterase-like serine peptidase	0.0013	0.0001	0.5
Schistosoma mansoni	nuclear receptor nhr-48	0.0055	0.0167	0.1912
Schistosoma mansoni	thyroid hormone receptor	0.0117	0.0408	0.4677
Echinococcus granulosus	retinoic acid receptor rxr beta a	0.0117	0.0408	0.2217
Loa Loa (eye worm)	nuclear hormone receptor family member nhr-31	0.0117	0.0408	0.0418
Schistosoma mansoni	nuclear hormone receptor	0.0055	0.0167	0.1912
Loa Loa (eye worm)	steroid hormone receptor	0.0117	0.0408	0.0418
Echinococcus multilocularis	FTZ F1 nuclear receptor protein	0.0117	0.0408	0.2217
Brugia malayi	nuclear receptor RXR	0.0062	0.0193	0.0197
Brugia malayi	nuclear receptor NHR-67	0.0055	0.0167	0.0171
Brugia malayi	hypothetical protein	0.0055	0.0167	0.0171
Echinococcus granulosus	ecdysone induced protein 78C	0.0117	0.0408	0.2217
Echinococcus granulosus	geminin	0.0236	0.0872	0.474
Schistosoma mansoni	hepatocyte nuclear factor 4-alpha (hnf-4-alpha)	0.0055	0.0167	0.1912
Schistosoma mansoni	P2X receptor subunit	0.0033	0.0081	0.0924
Brugia malayi	Nuclear hormone receptor-like 1	0.0117	0.0408	0.0418
Echinococcus multilocularis	FTZ F1 alpha	0.0117	0.0408	0.2217
Echinococcus multilocularis	guanine nucleotide binding protein G(s) subunit	0.0047	0.0134	0.073
Loa Loa (eye worm)	transcription factor SMAD2	0.0122	0.0429	0.044
Loa Loa (eye worm)	DR-78	0.0055	0.0167	0.0171
Onchocerca volvulus	Bile acid receptor homolog	0.0117	0.0408	0.0408
Brugia malayi	Nuclear hormone receptor family member nhr-19	0.0117	0.0408	0.0418
Echinococcus granulosus	Dipeptidyl peptidase 9	0.0043	0.0118	0.0639
Schistosoma mansoni	P2X receptor subunit	0.0033	0.0081	0.0924
Trypanosoma brucei	serine peptidase, Clan SC, Family S9B	0.0043	0.0118	0.5
Schistosoma mansoni	hypothetical protein	0.0236	0.0872	1
Echinococcus granulosus	Nuclear hormone receptor HR96	0.0055	0.0167	0.0906
Echinococcus granulosus	p2X purinoceptor 4	0.0033	0.0081	0.0438
Brugia malayi	nuclear receptor subfamily 1, group D, member 1, putative	0.0055	0.0167	0.0171
Echinococcus multilocularis	neuropeptide s receptor	0.0483	0.184	1
Brugia malayi	Ligand-binding domain of nuclear hormone receptor family protein	0.0117	0.0408	0.0418
Brugia malayi	Nuclear hormone receptor family member nhr-19	0.0117	0.0408	0.0418
Brugia malayi	nuclear receptor RXR	0.0055	0.0167	0.0171
Loa Loa (eye worm)	hypothetical protein	0.0055	0.0167	0.0171
Brugia malayi	hypothetical protein	0.0062	0.0193	0.0197
Leishmania major	dipeptidyl-peptidase 8-like serine peptidase, putative,serine peptidase, Clan SC, Family S9B	0.0043	0.0118	0.5
Echinococcus granulosus	nuclear receptor 2DBD gamma	0.0055	0.0167	0.0906
Loa Loa (eye worm)	nuclear hormone receptor-like 1	0.0062	0.0193	0.0197
Loa Loa (eye worm)	hypothetical protein	0.0125	0.0441	0.0452
Onchocerca volvulus		0.0055	0.0167	0.0167
Onchocerca volvulus	Huntingtin homolog	0.0125	0.0441	0.0441
Echinococcus granulosus	guanine nucleotide binding protein Gs subunit	0.0047	0.0134	0.073
Brugia malayi	hypothetical protein	0.0055	0.0167	0.0171
Brugia malayi	nuclear hormone receptor	0.0117	0.0408	0.0418
Loa Loa (eye worm)	nuclear hormone receptor family member nhr-41	0.0117	0.0408	0.0418
Brugia malayi	nuclear hormone receptor	0.251	0.9759	1
Brugia malayi	Nuclear hormone receptor-like 1	0.0062	0.0193	0.0197
Brugia malayi	Nuclear hormone receptor family member nhr-31	0.0117	0.0408	0.0418
Echinococcus multilocularis	p2X purinoceptor 4	0.0033	0.0081	0.0438
Loa Loa (eye worm)	MH2 domain-containing protein	0.0122	0.0429	0.044
Echinococcus granulosus	FTZ F1 nuclear receptor protein	0.0117	0.0408	0.2217
Echinococcus granulosus	dipeptidyl aminopeptidaseprotein	0.0127	0.0446	0.2422
Echinococcus multilocularis	nuclear receptor subfamily 1 group D	0.0062	0.0193	0.1046
Schistosoma mansoni	thyroid hormone receptor	0.0117	0.0408	0.4677
Schistosoma mansoni	nuclear receptor	0.0055	0.0167	0.1912
Schistosoma mansoni	P2X receptor subunit	0.0033	0.0081	0.0924
Echinococcus multilocularis	nuclear receptor 2DBD gamma	0.0117	0.0408	0.2217
Schistosoma mansoni	Guanine nucleotide-binding protein G(s) subunit alpha (Adenylate cyclase-stimulating G alpha protein)	0.0047	0.0134	0.154
Schistosoma mansoni	zinc finger protein	0.0055	0.0167	0.1912
Brugia malayi	hypothetical protein	0.0125	0.0441	0.0452
Echinococcus granulosus	nuclear receptor subfamily 1 group D	0.0062	0.0193	0.1046
Loa Loa (eye worm)	nuclear hormone receptor family member nhr-49	0.0117	0.0408	0.0418
Echinococcus granulosus	nuclear receptor nhr 48	0.0055	0.0167	0.0906
Echinococcus multilocularis	Nuclear hormone receptor HR96	0.0055	0.0167	0.0906
Echinococcus multilocularis	p2X purinoceptor 4	0.0033	0.0081	0.0438
Brugia malayi	orphan nuclear receptor NR2E1	0.0055	0.0167	0.0171
Loa Loa (eye worm)	hypothetical protein	0.0117	0.0408	0.0418
Brugia malayi	nuclear receptor NHR-88	0.0117	0.0408	0.0418
Echinococcus granulosus	p2X purinoceptor 4	0.0033	0.0081	0.0438
Echinococcus multilocularis	nuclear receptor subfamily 4 group A	0.0055	0.0167	0.0906
Schistosoma mansoni	hypothetical protein	0.0236	0.0872	1
Onchocerca volvulus	Dipeptidyl peptidase family member 1 homolog	0.0127	0.0446	0.0446
Schistosoma mansoni	Tr4/Tr2 (homologue)	0.0117	0.0408	0.4677
Schistosoma mansoni	RAR-like nuclear receptor	0.0117	0.0408	0.4677
Brugia malayi	Nuclear hormone receptor family member nhr-41	0.0117	0.0408	0.0418
Loa Loa (eye worm)	hypothetical protein	0.0055	0.0167	0.0171
Loa Loa (eye worm)	hypothetical protein	0.2455	0.9543	0.9779
Echinococcus multilocularis	hepatocyte nuclear factor 4 alpha	0.0117	0.0408	0.2217
Loa Loa (eye worm)	nuclear hormone receptor	0.0055	0.0167	0.0171
Loa Loa (eye worm)	hypothetical protein	0.0055	0.0167	0.0171
Brugia malayi	GTP-binding regulatory protein Gs alpha-S chain, putative	0.0047	0.0134	0.0138
Loa Loa (eye worm)	nuclear receptor nhr-7B	0.251	0.9759	1
Onchocerca volvulus		0.0055	0.0167	0.0167
Mycobacterium ulcerans	epoxide hydrolase EphA	0.0094	0.032	0.5
Mycobacterium tuberculosis	Probable epoxide hydrolase EphA (epoxide hydratase) (arene-oxide hydratase)	0.0094	0.032	0.5
Echinococcus granulosus	Nuclear hormone receptor family member nhr 41	0.0117	0.0408	0.2217
Brugia malayi	nuclear hormone receptor family member nhr-6	0.0055	0.0167	0.0171
Echinococcus multilocularis	Dipeptidyl peptidase 9	0.0043	0.0118	0.0639
Echinococcus granulosus	COUP TF:Svp nuclear hormone receptor	0.0117	0.0408	0.2217
Loa Loa (eye worm)	hypothetical protein	0.0117	0.0408	0.0418
Brugia malayi	ecdysone receptor	0.0055	0.0167	0.0171
Schistosoma mansoni	Guanine nucleotide-binding protein G(s) subunit alpha (Adenylate cyclase-stimulating G alpha protein)	0.0047	0.0134	0.154
Brugia malayi	Nuclear hormone receptor family member nhr-3	0.0117	0.0408	0.0418
Loa Loa (eye worm)	hypothetical protein	0.0055	0.0167	0.0171
Trypanosoma brucei	Dipeptidyl-peptidase 8-like, putative	0.0043	0.0118	0.5
Echinococcus multilocularis	nuclear receptor 2DBD gamma	0.0117	0.0408	0.2217
Loa Loa (eye worm)	hypothetical protein	0.0055	0.0167	0.0171
Loa Loa (eye worm)	hypothetical protein	0.0055	0.0167	0.0171
Schistosoma mansoni	subfamily S9B unassigned peptidase (S09 family)	0.0127	0.0446	0.511
Loa Loa (eye worm)	hypothetical protein	0.0117	0.0408	0.0418
Brugia malayi	Nuclear hormone receptor family member nhr-25	0.0117	0.0408	0.0418
Brugia malayi	Nuclear hormone receptor E75	0.0055	0.0167	0.0171
Schistosoma mansoni	Guanine nucleotide-binding protein G(s) subunit alpha (Adenylate cyclase-stimulating G alpha protein)	0.0047	0.0134	0.154
Echinococcus granulosus	neuropeptide receptor A26	0.0483	0.184	1
Loa Loa (eye worm)	GTP-binding regulatory protein Gs alpha-S chain	0.0047	0.0134	0.0138
Brugia malayi	steroid hormone receptor	0.0117	0.0408	0.0418
Loa Loa (eye worm)	hypothetical protein	0.0033	0.0078	0.008
Brugia malayi	prolyl oligopeptidase family protein	0.0127	0.0446	0.0457
Echinococcus multilocularis	geminin	0.0236	0.0872	0.474
Loa Loa (eye worm)	hypothetical protein	0.0117	0.0408	0.0418
Echinococcus granulosus	nuclear receptor 2DBD gamma	0.0117	0.0408	0.2217
Echinococcus multilocularis	nuclear receptor nhr 48	0.0055	0.0167	0.0906
Brugia malayi	hypothetical protein	0.0033	0.0078	0.008
Loa Loa (eye worm)	hypothetical protein	0.0055	0.0167	0.0171
Echinococcus multilocularis	thyroid hormone receptor alpha	0.0117	0.0408	0.2217
Brugia malayi	Nuclear hormone receptor family member nhr-40	0.0117	0.0408	0.0418
Schistosoma mansoni	retinoid-x-receptor (RXR)	0.0062	0.0193	0.2208
Brugia malayi	Ligand-binding domain of nuclear hormone receptor family protein	0.0117	0.0408	0.0418
Onchocerca volvulus	Nuclear receptor subfamily 6 group A member 1 homolog	0.0055	0.0167	0.0167
Loa Loa (eye worm)	nuclear hormone receptor family member nhr-40	0.0117	0.0408	0.0418
Brugia malayi	Nuclear hormone receptor family member nhr-49	0.0117	0.0408	0.0418
Schistosoma mansoni	ecdysone-induced protein 78c (dr-78)	0.0062	0.0193	0.2208
Schistosoma mansoni	P2X receptor subunit	0.0033	0.0081	0.0924
Loa Loa (eye worm)	nuclear Hormone Receptor family member	0.0117	0.0408	0.0418
Schistosoma mansoni	steroid hormone receptor ad4bp	0.0117	0.0408	0.4677
Toxoplasma gondii	dipeptidyl peptidase iv (dpp iv) n-terminal region domain-containing protein	0.0043	0.0118	0.5
Loa Loa (eye worm)	nuclear receptor NHR-67	0.0055	0.0167	0.0171
Onchocerca volvulus	Huntingtin homolog	0.0125	0.0441	0.0441
Schistosoma mansoni	nuclear hormone receptor superfamily protein-related	0.0055	0.0167	0.1912
Loa Loa (eye worm)	hypothetical protein	0.0055	0.0167	0.0171

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: CHEMBL2147337

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 1686692