TDR Targets

Basic information

Technical information

Name: Unnamed compound
MW: 356.376 | Formula: C18H20N4O4
H donors: 0 H acceptors: 3 LogP: 2.08 Rotable bonds: 7
Rule of 5 violations (Lipinski): 1
SMILES: COc1c(ccc(c1OC)OC)C(=O)N(Cc1nnc2n1cccc2)C
InChi: 1S/C18H20N4O4/c1-21(11-15-20-19-14-7-5-6-10-22(14)15)18(23)12-8-9-13(24-2)17(26-4)16(12)25-3/h5-10H,11H2,1-4H3
InChiKey: ZQQJQMTWVYPCSE-UHFFFAOYSA-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 multilocularis	X box binding protein 1	0.0308	0.3383	0.3406
Echinococcus granulosus	guanine nucleotide binding protein Gs subunit	0.0038	0.0224	0.0629
Echinococcus multilocularis	guanine nucleotide binding protein G(s) subunit	0.0038	0.0224	0.0226
Brugia malayi	GTP-binding regulatory protein Gs alpha-S chain, putative	0.0038	0.0224	0.0916
Schistosoma mansoni	patched 1	0.0045	0.0303	0.0851
Schistosoma mansoni	hypothetical protein	0.0323	0.3564	1
Echinococcus granulosus	survival motor neuron protein 1	0.0199	0.2101	0.5894
Echinococcus multilocularis	guanine nucleotide binding protein G(s) subunit	0.0038	0.0224	0.0226
Echinococcus granulosus	Niemann Pick C1 protein	0.015	0.1537	0.4311
Loa Loa (eye worm)	GTP-binding regulatory protein Gs alpha-S chain	0.0038	0.0224	0.0916
Echinococcus granulosus	Niemann Pick C1 protein	0.0105	0.1007	0.2826
Echinococcus multilocularis	NADP dependent isocitrate dehydrogenase	0.003	0.0127	0.0128
Brugia malayi	Iron-sulfur cluster assembly accessory protein	0.004	0.0249	0.1017
Schistosoma mansoni	Guanine nucleotide-binding protein G(s) subunit alpha (Adenylate cyclase-stimulating G alpha protein)	0.0038	0.0224	0.0629
Echinococcus multilocularis	Basic leucine zipper (bZIP) transcription	0.0069	0.0579	0.0583
Loa Loa (eye worm)	abnormal chemotaxis protein 14	0.0045	0.0303	0.1241
Schistosoma mansoni	hypothetical protein	0.0044	0.0284	0.0797
Schistosoma mansoni	hypothetical protein	0.0044	0.0284	0.0797
Schistosoma mansoni	tar DNA-binding protein	0.0053	0.0397	0.1115
Brugia malayi	Isocitrate dehydrogenase	0.003	0.0127	0.0521
Echinococcus multilocularis	expressed conserved protein	0.0099	0.0933	0.0939
Trichomonas vaginalis	set domain proteins, putative	0.0253	0.2741	1
Onchocerca volvulus		0.004	0.0249	0.0907
Brugia malayi	Niemann-Pick C1 protein precursor	0.0105	0.1007	0.4121
Leishmania major	isocitrate dehydrogenase [NADP], mitochondrial precursor, putative	0.003	0.0127	0.5
Schistosoma mansoni	tar DNA-binding protein	0.0053	0.0397	0.1115
Loa Loa (eye worm)	pre-SET domain-containing protein family protein	0.0222	0.2381	0.9742
Schistosoma mansoni	survival motor neuron protein	0.004	0.0249	0.0697
Schistosoma mansoni	hypothetical protein	0.0044	0.0284	0.0797
Loa Loa (eye worm)	RNA binding protein	0.0053	0.0397	0.1625
Schistosoma mansoni	hypothetical protein	0.0308	0.3383	0.9493
Echinococcus multilocularis	NADP dependent isocitrate dehydrogenase	0.003	0.0127	0.0128
Brugia malayi	hypothetical protein	0.0131	0.1309	0.5354
Schistosoma mansoni	hypothetical protein	0.0044	0.0284	0.0797
Echinococcus granulosus	guanine nucleotide binding protein Gs subunit	0.0038	0.0224	0.0629
Schistosoma mansoni	histone-lysine n-methyltransferase setb1	0.0032	0.0148	0.0415
Schistosoma mansoni	hypothetical protein	0.0323	0.3564	1
Loa Loa (eye worm)	RNA recognition domain-containing protein domain-containing protein	0.0053	0.0397	0.1625
Onchocerca volvulus		0.0032	0.0148	0.054
Schistosoma mansoni	transcription factor LCR-F1	0.0069	0.0579	0.1624
Echinococcus granulosus	sterol regulatory element binding protein	0.0045	0.0303	0.0851
Loa Loa (eye worm)	TAR-binding protein	0.0053	0.0397	0.1625
Brugia malayi	TAR-binding protein	0.0053	0.0397	0.1625
Trypanosoma cruzi	isocitrate dehydrogenase [NADP], mitochondrial precursor, putative	0.003	0.0127	0.5
Loa Loa (eye worm)	transcription factor SMAD2	0.0228	0.2444	1
Loa Loa (eye worm)	hypothetical protein	0.0131	0.1309	0.5354
Echinococcus multilocularis	histone lysine methyltransferase setb histone lysine methyltransferase eggless	0.0032	0.0148	0.0149
Brugia malayi	RNA recognition motif domain containing protein	0.0053	0.0397	0.1625
Trypanosoma cruzi	isocitrate dehydrogenase, putative	0.003	0.0127	0.5
Schistosoma mansoni	Guanine nucleotide-binding protein G(s) subunit alpha (Adenylate cyclase-stimulating G alpha protein)	0.0038	0.0224	0.0629
Echinococcus granulosus	expressed conserved protein	0.0099	0.0933	0.2617
Brugia malayi	CHE-14 protein	0.0045	0.0303	0.1241
Brugia malayi	RNA binding protein	0.0053	0.0397	0.1625
Trypanosoma brucei	isocitrate dehydrogenase, putative	0.003	0.0127	0.5
Echinococcus multilocularis	Niemann Pick C1 protein	0.0105	0.1007	0.1014
Loa Loa (eye worm)	MH2 domain-containing protein	0.0228	0.2444	1
Mycobacterium ulcerans	proteasome PrcA	0.0873	1	0.5
Echinococcus multilocularis	geminin	0.0323	0.3564	0.3588
Trypanosoma brucei	isocitrate dehydrogenase [NADP], mitochondrial precursor, putative	0.003	0.0127	0.5
Brugia malayi	Pre-SET motif family protein	0.0032	0.0148	0.0605
Echinococcus multilocularis	atpase aaa+ type core atpase aaa type core	0.0867	0.9933	1
Schistosoma mansoni	tar DNA-binding protein	0.0053	0.0397	0.1115
Echinococcus granulosus	5'partial\|histone lysine N methyltransferase SETDB2	0.0031	0.0134	0.0376
Echinococcus multilocularis	NADP dependent isocitrate dehydrogenase	0.003	0.0127	0.0128
Echinococcus multilocularis	protein patched	0.0045	0.0303	0.0305
Plasmodium vivax	SET domain protein, putative	0.0032	0.0148	1
Schistosoma mansoni	histone-lysine n-methyltransferase setb1	0.0032	0.0148	0.0415
Echinococcus granulosus	Basic leucine zipper bZIP transcription	0.0069	0.0579	0.1624
Schistosoma mansoni	tar DNA-binding protein	0.0053	0.0397	0.1115
Brugia malayi	MH2 domain containing protein	0.0228	0.2444	1
Echinococcus granulosus	X box binding protein 1	0.0308	0.3383	0.9493
Toxoplasma gondii	histone lysine methyltransferase SET/SUV39	0.0032	0.0148	1
Loa Loa (eye worm)	isocitrate dehydrogenase	0.003	0.0127	0.0521
Schistosoma mansoni	histone-lysine n-methyltransferase suv9	0.0032	0.0148	0.0415
Echinococcus multilocularis	survival motor neuron protein 1	0.0199	0.2101	0.2115
Schistosoma mansoni	hypothetical protein	0.0069	0.0579	0.1624
Echinococcus multilocularis	tar DNA binding protein	0.0053	0.0397	0.04
Loa Loa (eye worm)	hypothetical protein	0.0045	0.0303	0.1241
Schistosoma mansoni	tar DNA-binding protein	0.0053	0.0397	0.1115
Schistosoma mansoni	Guanine nucleotide-binding protein G(s) subunit alpha (Adenylate cyclase-stimulating G alpha protein)	0.0038	0.0224	0.0629
Echinococcus multilocularis	histone lysine N methyltransferase SETMAR	0.0032	0.0148	0.0149
Loa Loa (eye worm)	hypothetical protein	0.0199	0.2101	0.8594
Echinococcus multilocularis	protein dispatched 1	0.0052	0.0378	0.0381
Echinococcus multilocularis	isocitrate dehydrogenase 2 (NADP+)	0.003	0.0127	0.0128
Entamoeba histolytica	Niemann-Pick C1 protein, putative	0.0105	0.1007	1
Schistosoma mansoni	niemann-pick C1 (NPC1)	0.0107	0.1026	0.288
Loa Loa (eye worm)	hypothetical protein	0.0131	0.1309	0.5354
Brugia malayi	Pre-SET motif family protein	0.0222	0.2381	0.9742
Loa Loa (eye worm)	hypothetical protein	0.0055	0.0422	0.1728
Echinococcus granulosus	NADP dependent isocitrate dehydrogenase	0.003	0.0127	0.0357
Onchocerca volvulus		0.0253	0.2741	1
Loa Loa (eye worm)	hypothetical protein	0.0032	0.0148	0.0605
Echinococcus granulosus	tar DNA binding protein	0.0053	0.0397	0.1115
Echinococcus multilocularis	Niemann Pick C1 protein	0.015	0.1537	0.1547
Brugia malayi	hypothetical protein	0.0069	0.0579	0.2367
Echinococcus granulosus	geminin	0.0323	0.3564	1
Schistosoma mansoni	histone-lysine n-methyltransferase setb1	0.0032	0.0148	0.0415
Echinococcus granulosus	Protein patched homolog 1	0.0045	0.0303	0.0851
Mycobacterium tuberculosis	Proteasome alpha subunit PrcA; assembles with beta subunit PrcB.	0.0873	1	1
Schistosoma mansoni	hypothetical protein	0.004	0.0249	0.0697
Onchocerca volvulus	Huntingtin homolog	0.0131	0.1309	0.4774
Echinococcus granulosus	histone lysine methyltransferase setb	0.0032	0.0148	0.0415
Schistosoma mansoni	NADP-specific isocitrate dehydrogenase	0.003	0.0127	0.0357
Loa Loa (eye worm)	hypothetical protein	0.0105	0.1007	0.4121
Brugia malayi	isocitrate dehydrogenase	0.003	0.0127	0.0521
Echinococcus multilocularis	sterol regulatory element binding protein	0.0045	0.0303	0.0305
Plasmodium falciparum	isocitrate dehydrogenase [NADP], mitochondrial	0.003	0.0127	0.5
Brugia malayi	hypothetical protein	0.0199	0.2101	0.8594
Echinococcus multilocularis	isocitrate dehydrogenase	0.003	0.0127	0.0128
Onchocerca volvulus	Huntingtin homolog	0.0131	0.1309	0.4774

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: CHEMBL3493194

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 2070265