TDR Targets

Basic information

Technical information

Name: Unnamed compound
MW: 331.327 | Formula: C15H17N5O4
H donors: 2 H acceptors: 5 LogP: 1.78 Rotable bonds: 8
Rule of 5 violations (Lipinski): 1
SMILES: CCOC(=O)COc1ccccc1C=NNc1nnc(c(n1)O)C
InChi: 1S/C15H17N5O4/c1-3-23-13(21)9-24-12-7-5-4-6-11(12)8-16-19-15-17-14(22)10(2)18-20-15/h4-8H,3,9H2,1-2H3,(H2,17,19,20,22)/b16-8+
InChiKey: OPEOTHCMZCIONX-LZYBPNLTSA-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
Schistosoma mansoni	hypothetical protein	0.0142	0.15	0.2537
Schistosoma mansoni	hypothetical protein	0.0035	0.0187	0.0316
Toxoplasma gondii	thioredoxin reductase	0.0047	0.0328	0.0719
Echinococcus granulosus	Basic leucine zipper bZIP transcription	0.0035	0.0187	0.0316
Schistosoma mansoni	tar DNA-binding protein	0.0257	0.2901	0.4908
Loa Loa (eye worm)	glutaminase 2	0.0296	0.3379	0.6417
Entamoeba histolytica	hypothetical protein	0.0035	0.0187	0.5
Loa Loa (eye worm)	thioredoxin reductase	0.0047	0.0328	0.0624
Schistosoma mansoni	hypothetical protein	0.0094	0.0913	0.1544
Loa Loa (eye worm)	GTP-binding regulatory protein Gs alpha-S chain	0.0236	0.2644	0.5021
Brugia malayi	Latrophilin receptor protein 2	0.0142	0.15	0.2849
Brugia malayi	beta-lactamase family protein	0.0036	0.0197	0.0375
Schistosoma mansoni	hypothetical protein	0.0094	0.0913	0.1544
Plasmodium vivax	M1-family alanyl aminopeptidase, putative	0.0309	0.3534	1
Trypanosoma brucei	hypothetical protein, conserved	0.0036	0.0197	0.472
Schistosoma mansoni	Guanine nucleotide-binding protein G(s) subunit alpha (Adenylate cyclase-stimulating G alpha protein)	0.0236	0.2644	0.4472
Mycobacterium leprae	PROBABLE NADH DEHYDROGENASE NDH	0.0106	0.106	0.8558
Schistosoma mansoni	tar DNA-binding protein	0.0257	0.2901	0.4908
Echinococcus granulosus	guanine nucleotide binding protein Gs subunit	0.0236	0.2644	0.4472
Loa Loa (eye worm)	hypothetical protein	0.0036	0.0197	0.0375
Mycobacterium tuberculosis	Probable oxidoreductase	0.0118	0.1205	0.4253
Echinococcus granulosus	beta LACTamase domain containing family member	0.0036	0.0197	0.0334
Brugia malayi	RNA binding protein	0.0257	0.2901	0.5511
Onchocerca volvulus		0.0036	0.0197	1
Echinococcus granulosus	cadherin EGF LAG seven pass G type receptor	0.0142	0.15	0.2537
Loa Loa (eye worm)	hypothetical protein	0.0036	0.0197	0.0375
Toxoplasma gondii	ABC1 family protein	0.0036	0.0197	0.034
Mycobacterium tuberculosis	Putative ferredoxin reductase	0.0106	0.106	0.364
Leishmania major	trypanothione reductase	0.0047	0.0328	1
Schistosoma mansoni	serine/threonine protein kinase	0.0095	0.0922	0.1559
Brugia malayi	calcium-independent alpha-latrotoxin receptor 2, putative	0.0142	0.15	0.2849
Schistosoma mansoni	hypothetical protein	0.0308	0.3522	0.5958
Mycobacterium tuberculosis	Dihydrolipoamide dehydrogenase LpdC (lipoamide reductase (NADH)) (lipoyl dehydrogenase) (dihydrolipoyl dehydrogenase) (diaphoras	0.0118	0.1205	0.4253
Echinococcus granulosus	calcium activated potassium channel	0.0095	0.0922	0.1559
Echinococcus granulosus	diuretic hormone 44 receptor GPRdih2	0.0142	0.15	0.2537
Loa Loa (eye worm)	beta-LACTamase domain containing family member	0.0036	0.0197	0.0375
Brugia malayi	Thioredoxin reductase	0.0047	0.0328	0.0624
Mycobacterium tuberculosis	Probable membrane NADH dehydrogenase NdhA	0.0106	0.106	0.364
Leishmania major	hypothetical protein, conserved	0.0036	0.0197	0.472
Echinococcus multilocularis	guanine nucleotide binding protein G(s) subunit	0.0236	0.2644	0.2644
Echinococcus multilocularis	beta LACTamase domain containing family member	0.0036	0.0197	0.0197
Plasmodium vivax	glutathione reductase, putative	0.0047	0.0328	0.0719
Toxoplasma gondii	aminopeptidase N, putative	0.0309	0.3534	1
Schistosoma mansoni	hypothetical protein	0.0503	0.5912	1
Schistosoma mansoni	tar DNA-binding protein	0.0257	0.2901	0.4908
Mycobacterium tuberculosis	Probable NADH dehydrogenase Ndh	0.0106	0.106	0.364
Loa Loa (eye worm)	TAR-binding protein	0.0257	0.2901	0.5511
Echinococcus granulosus	serine:threonine protein kinase MARK2	0.0095	0.0922	0.1559
Loa Loa (eye worm)	RNA recognition domain-containing protein domain-containing protein	0.0257	0.2901	0.5511
Echinococcus multilocularis	Basic leucine zipper (bZIP) transcription	0.0035	0.0187	0.0187
Schistosoma mansoni	family S12 unassigned peptidase (S12 family)	0.0036	0.0197	0.0334
Echinococcus multilocularis	calcium activated potassium channel	0.0095	0.0922	0.0922
Mycobacterium tuberculosis	NADPH-dependent mycothiol reductase Mtr	0.0047	0.0328	0.0554
Onchocerca volvulus		0.0036	0.0197	1
Trypanosoma brucei	trypanothione reductase	0.0047	0.0328	1
Mycobacterium tuberculosis	Probable nitrite reductase [NAD(P)H] large subunit [FAD flavoprotein] NirB	0.0106	0.106	0.364
Brugia malayi	Calcitonin receptor-like protein seb-1	0.045	0.5265	1
Echinococcus granulosus	tar DNA binding protein	0.0257	0.2901	0.4908
Loa Loa (eye worm)	hypothetical protein	0.0094	0.0913	0.1734
Entamoeba histolytica	hypothetical protein	0.0035	0.0187	0.5
Echinococcus multilocularis	serine:threonine protein kinase MARK2	0.0095	0.0922	0.0922
Trypanosoma cruzi	hypothetical protein, conserved	0.0036	0.0197	0.472
Brugia malayi	hypothetical protein	0.0026	0.008	0.0152
Echinococcus multilocularis	tar DNA binding protein	0.0257	0.2901	0.2901
Schistosoma mansoni	serine/threonine protein kinase	0.0095	0.0922	0.1559
Schistosoma mansoni	serine/threonine protein kinase	0.0095	0.0922	0.1559
Loa Loa (eye worm)	glutaminase	0.0296	0.3379	0.6417
Loa Loa (eye worm)	beta-lactamase	0.0036	0.0197	0.0375
Echinococcus multilocularis	hypothetical protein	0.0094	0.0913	0.0913
Schistosoma mansoni	transcription factor LCR-F1	0.0035	0.0187	0.0316
Brugia malayi	Protein kinase domain containing protein	0.0285	0.325	0.6173
Schistosoma mansoni	serine/threonine protein kinase	0.0095	0.0922	0.1559
Echinococcus multilocularis	thioredoxin glutathione reductase	0.0047	0.0328	0.0328
Mycobacterium tuberculosis	Probable dehydrogenase	0.0106	0.106	0.364
Mycobacterium tuberculosis	NAD(P)H quinone reductase LpdA	0.0118	0.1205	0.4253
Mycobacterium tuberculosis	Probable reductase	0.0106	0.106	0.364
Loa Loa (eye worm)	hypothetical protein	0.045	0.5265	1
Loa Loa (eye worm)	hypothetical protein	0.0308	0.3522	0.669
Brugia malayi	Hypothetical 52.5 kDa protein ZK945.1 in chromosome II, putative	0.0036	0.0197	0.0375
Schistosoma mansoni	glutaminase	0.0296	0.3379	0.5715
Toxoplasma gondii	aminopeptidase n, putative	0.0309	0.3534	1
Trichomonas vaginalis	CAMK family protein kinase	0.0285	0.325	0.9595
Schistosoma mansoni	serine/threonine kinase	0.0285	0.325	0.5498
Echinococcus multilocularis	geminin	0.0503	0.5912	0.5912
Trypanosoma cruzi	hypothetical protein, conserved	0.0036	0.0197	0.472
Brugia malayi	beta-lactamase family protein	0.0036	0.0197	0.0375
Echinococcus granulosus	GPCR family 2	0.0142	0.15	0.2537
Mycobacterium tuberculosis	Possible penicillin-binding protein	0.023	0.2568	1
Brugia malayi	Kinase associated domain 1 family protein	0.0094	0.0913	0.1734
Schistosoma mansoni	Guanine nucleotide-binding protein G(s) subunit alpha (Adenylate cyclase-stimulating G alpha protein)	0.0236	0.2644	0.4472
Trichomonas vaginalis	CAMK family protein kinase	0.0191	0.2095	0.5964
Brugia malayi	latrophilin 2 splice variant baaae	0.0308	0.3522	0.669
Brugia malayi	GTP-binding regulatory protein Gs alpha-S chain, putative	0.0236	0.2644	0.5021
Schistosoma mansoni	family S12 unassigned peptidase (S12 family)	0.0036	0.0197	0.0334
Loa Loa (eye worm)	hypothetical protein	0.0036	0.0197	0.0375
Loa Loa (eye worm)	glutathione reductase	0.0047	0.0328	0.0624
Onchocerca volvulus		0.0036	0.0197	1
Plasmodium falciparum	M1-family alanyl aminopeptidase	0.0309	0.3534	1
Echinococcus multilocularis	maternal embryonic leucine zipper kinase	0.0191	0.2095	0.2095
Schistosoma mansoni	hypothetical protein	0.0142	0.15	0.2537
Plasmodium falciparum	glutathione reductase	0.0047	0.0328	0.0719
Brugia malayi	hypothetical protein	0.0035	0.0187	0.0355
Schistosoma mansoni	tar DNA-binding protein	0.0257	0.2901	0.4908
Schistosoma mansoni	hypothetical protein	0.0142	0.15	0.2537
Loa Loa (eye worm)	pigment dispersing factor receptor c	0.045	0.5265	1
Brugia malayi	glutathione reductase	0.0047	0.0328	0.0624
Schistosoma mansoni	hypothetical protein	0.0503	0.5912	1
Plasmodium vivax	hypothetical protein, conserved	0.0036	0.0197	0.034
Loa Loa (eye worm)	hypothetical protein	0.0026	0.008	0.0152
Entamoeba histolytica	hypothetical protein	0.0035	0.0187	0.5
Brugia malayi	glutaminase DH11.1	0.0296	0.3379	0.6417
Brugia malayi	RNA recognition motif domain containing protein	0.0257	0.2901	0.5511
Echinococcus granulosus	maternal embryonic leucine zipper kinase	0.0191	0.2095	0.3543
Loa Loa (eye worm)	hypothetical protein	0.0036	0.0197	0.0375
Schistosoma mansoni	serine/threonine protein kinase	0.0095	0.0922	0.1559
Echinococcus multilocularis	cadherin EGF LAG seven pass G type receptor	0.0142	0.15	0.15
Schistosoma mansoni	Guanine nucleotide-binding protein G(s) subunit alpha (Adenylate cyclase-stimulating G alpha protein)	0.0236	0.2644	0.4472
Trichomonas vaginalis	glutaminase, putative	0.0296	0.3379	1
Trypanosoma cruzi	trypanothione reductase, putative	0.0047	0.0328	1
Trichomonas vaginalis	CAMK family protein kinase	0.0191	0.2095	0.5964
Loa Loa (eye worm)	CAMK/CAMKL/MELK protein kinase	0.0285	0.325	0.6173
Mycobacterium leprae	DIHYDROLIPOAMIDE DEHYDROGENASE LPD (LIPOAMIDE REDUCTASE (NADH)) (LIPOYL DEHYDROGENASE) (DIHYDROLIPOYL DEHYDROGENASE) (DIAPHORASE	0.0118	0.1205	1
Echinococcus granulosus	geminin	0.0503	0.5912	1
Loa Loa (eye worm)	RNA binding protein	0.0257	0.2901	0.5511
Schistosoma mansoni	tar DNA-binding protein	0.0257	0.2901	0.4908
Loa Loa (eye worm)	latrophilin receptor protein 2	0.0142	0.15	0.2849
Brugia malayi	Corticotropin releasing factor receptor 2 precursor, putative	0.045	0.5265	1
Loa Loa (eye worm)	hypothetical protein	0.0036	0.0197	0.0375
Echinococcus granulosus	serine:threonine protein kinase MARK2	0.0095	0.0922	0.1559
Echinococcus granulosus	guanine nucleotide binding protein Gs subunit	0.0236	0.2644	0.4472
Loa Loa (eye worm)	hypothetical protein	0.0036	0.0197	0.0375
Loa Loa (eye worm)	hypothetical protein	0.0142	0.15	0.2849
Echinococcus multilocularis	guanine nucleotide binding protein G(s) subunit	0.0236	0.2644	0.2644
Entamoeba histolytica	hypothetical protein	0.0035	0.0187	0.5
Echinococcus multilocularis	GPCR, family 2	0.0142	0.15	0.15
Plasmodium falciparum	thioredoxin reductase	0.0047	0.0328	0.0719
Echinococcus multilocularis	diuretic hormone 44 receptor GPRdih2	0.0142	0.15	0.15
Plasmodium vivax	thioredoxin reductase, putative	0.0047	0.0328	0.0719
Echinococcus multilocularis	serine:threonine protein kinase MARK2	0.0095	0.0922	0.0922
Brugia malayi	beta-lactamase	0.0036	0.0197	0.0375
Brugia malayi	TAR-binding protein	0.0257	0.2901	0.5511
Mycobacterium ulcerans	glutaminase	0.0296	0.3379	1
Toxoplasma gondii	aminopeptidase N protein	0.0309	0.3534	1
Echinococcus granulosus	thioredoxin glutathione reductase	0.0047	0.0328	0.0556
Schistosoma mansoni	hypothetical protein	0.0142	0.15	0.2537

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

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Bibliographic References

No literature references available for this target.

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Detailed information for compound 776763