TDR Targets

Basic information

Technical information

Name: Unnamed compound
MW: 388.459 | Formula: C24H24N2O3
H donors: 1 H acceptors: 3 LogP: 2.59 Rotable bonds: 4
Rule of 5 violations (Lipinski): 1
SMILES: CCOC(=C1C(=NC2=C(C1c1cccnc1)C(=O)CC(C2)c1ccccc1)C)O
InChi: 1S/C24H24N2O3/c1-3-29-24(28)21-15(2)26-19-12-18(16-8-5-4-6-9-16)13-20(27)23(19)22(21)17-10-7-11-25-14-17/h4-11,14,18,22,28H,3,12-13H2,1-2H3
InChiKey: IJHSZOLTGAYPNW-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	isocitrate dehydrogenase 2 (NADP+)	0.0016	0.0544	0.1611
Trichomonas vaginalis	esterase, putative	0.0036	0.1411	1
Echinococcus multilocularis	beta LACTamase domain containing family member	0.0036	0.1411	0.5012
Mycobacterium tuberculosis	Probable esterase/lipase LipP	0.0036	0.1411	0.0917
Loa Loa (eye worm)	CXXC zinc finger family protein	0.0028	0.1089	0.3552
Mycobacterium ulcerans	beta-lactamase	0.0036	0.1411	0.5
Schistosoma mansoni	Guanine nucleotide-binding protein G(s) subunit alpha (Adenylate cyclase-stimulating G alpha protein)	0.0047	0.1921	0.7161
Trichomonas vaginalis	penicillin-binding protein, putative	0.0036	0.1411	1
Trichomonas vaginalis	penicillin-binding protein, putative	0.0036	0.1411	1
Echinococcus multilocularis	tar DNA binding protein	0.0064	0.2683	1
Leishmania major	hypothetical protein, conserved	0.0025	0.0958	0.477
Echinococcus multilocularis	Ataxin 2, N terminal,domain containing protein	0.0011	0.0329	0.0767
Schistosoma mansoni	hypothetical protein	0.0011	0.0329	0.1226
Schistosoma mansoni	Guanine nucleotide-binding protein G(s) subunit alpha (Adenylate cyclase-stimulating G alpha protein)	0.0047	0.1921	0.7161
Schistosoma mansoni	cpg binding protein	0.0028	0.1089	0.4059
Echinococcus granulosus	Ataxin 2 N terminaldomain containing protein	0.0011	0.0329	0.0767
Trichomonas vaginalis	D-aminoacylase, putative	0.0036	0.1411	1
Loa Loa (eye worm)	hypothetical protein	0.0036	0.1411	0.4856
Plasmodium vivax	hypothetical protein, conserved	0.0036	0.1411	1
Brugia malayi	hypothetical protein	0.0025	0.0958	0.3035
Brugia malayi	Hypothetical 52.5 kDa protein ZK945.1 in chromosome II, putative	0.0036	0.1411	0.4866
Brugia malayi	RNA recognition motif domain containing protein	0.0064	0.2683	1
Schistosoma mansoni	NADP-specific isocitrate dehydrogenase	0.0016	0.0544	0.2028
Loa Loa (eye worm)	hypothetical protein	0.0036	0.1411	0.4856
Toxoplasma gondii	ABC1 family protein	0.0036	0.1411	0.5156
Trypanosoma cruzi	hypothetical protein, conserved	0.0036	0.1411	1
Mycobacterium leprae	Probable lipase LipE	0.0036	0.1411	0.5
Echinococcus multilocularis	isocitrate dehydrogenase	0.0016	0.0544	0.1611
Echinococcus multilocularis	NADP dependent isocitrate dehydrogenase	0.0016	0.0544	0.1611
Mycobacterium leprae	conserved hypothetical protein	0.0036	0.1411	0.5
Mycobacterium tuberculosis	Possible conserved lipoprotein LpqK	0.0036	0.1411	0.0917
Onchocerca volvulus		0.0036	0.1411	1
Echinococcus granulosus	cpg binding protein	0.003	0.1161	0.4032
Plasmodium falciparum	ataxin-2 like protein, putative	0.0025	0.0958	1
Loa Loa (eye worm)	isocitrate dehydrogenase	0.0016	0.0544	0.1348
Trypanosoma cruzi	PAB1-binding protein , putative	0.0025	0.0958	0.477
Schistosoma mansoni	family S12 unassigned peptidase (S12 family)	0.0036	0.1411	0.5261
Mycobacterium tuberculosis	Probable esterase LipL	0.0036	0.1411	0.0917
Leishmania major	hypothetical protein, conserved	0.0036	0.1411	1
Schistosoma mansoni	tar DNA-binding protein	0.0064	0.2683	1
Mycobacterium tuberculosis	Conserved protein	0.0036	0.1411	0.0917
Echinococcus granulosus	tar DNA binding protein	0.0064	0.2683	1
Trypanosoma brucei	PAB1-binding protein , putative	0.0025	0.0958	0.477
Mycobacterium tuberculosis	Probable conserved lipoprotein	0.0036	0.1411	0.0917
Loa Loa (eye worm)	RNA binding protein	0.0064	0.2683	1
Brugia malayi	GTP-binding regulatory protein Gs alpha-S chain, putative	0.0047	0.1921	0.6925
Toxoplasma gondii	LsmAD domain-containing protein	0.0025	0.0958	0.2459
Schistosoma mansoni	Guanine nucleotide-binding protein G(s) subunit alpha (Adenylate cyclase-stimulating G alpha protein)	0.0047	0.1921	0.7161
Schistosoma mansoni	mixed-lineage leukemia protein mll	0.0007	0.0133	0.0498
Loa Loa (eye worm)	beta-LACTamase domain containing family member	0.0036	0.1411	0.4856
Mycobacterium tuberculosis	Conserved protein	0.0036	0.1411	0.0917
Schistosoma mansoni	tar DNA-binding protein	0.0064	0.2683	1
Brugia malayi	TAR-binding protein	0.0064	0.2683	1
Trypanosoma brucei	hypothetical protein, conserved	0.0036	0.1411	1
Echinococcus multilocularis	cpg binding protein	0.003	0.1161	0.4032
Schistosoma mansoni	family S12 unassigned peptidase (S12 family)	0.0036	0.1411	0.5261
Trichomonas vaginalis	D-aminoacylase, putative	0.0036	0.1411	1
Mycobacterium ulcerans	esterase/lipase LipP	0.0036	0.1411	0.5
Echinococcus granulosus	histone lysine N methyltransferase MLL3	0.0009	0.0211	0.0304
Brugia malayi	isocitrate dehydrogenase	0.0016	0.0544	0.1366
Echinococcus granulosus	beta LACTamase domain containing family member	0.0036	0.1411	0.5012
Plasmodium vivax	ataxin-2 like protein, putative	0.0025	0.0958	0.477
Loa Loa (eye worm)	hypothetical protein	0.0036	0.1411	0.4856
Echinococcus multilocularis	guanine nucleotide binding protein G(s) subunit	0.0047	0.1921	0.7012
Loa Loa (eye worm)	RNA recognition domain-containing protein domain-containing protein	0.0064	0.2683	1
Onchocerca volvulus		0.0036	0.1411	1
Loa Loa (eye worm)	beta-lactamase	0.0036	0.1411	0.4856
Schistosoma mansoni	tar DNA-binding protein	0.0064	0.2683	1
Trichomonas vaginalis	D-aminoacylase, putative	0.0036	0.1411	1
Loa Loa (eye worm)	GTP-binding regulatory protein Gs alpha-S chain	0.0047	0.1921	0.6918
Mycobacterium tuberculosis	Conserved protein	0.0036	0.1411	0.0917
Mycobacterium tuberculosis	Probable hydrolase	0.0036	0.1411	0.0917
Mycobacterium ulcerans	hypothetical protein	0.0036	0.1411	0.5
Trypanosoma cruzi	hypothetical protein, conserved	0.0036	0.1411	1
Plasmodium falciparum	ataxin-2 like protein, putative	0.0025	0.0958	1
Trypanosoma cruzi	PAB1-binding protein , putative	0.0025	0.0958	0.477
Brugia malayi	beta-lactamase	0.0036	0.1411	0.4866
Echinococcus multilocularis	NADP dependent isocitrate dehydrogenase	0.0016	0.0544	0.1611
Toxoplasma gondii	histone lysine methyltransferase SET1	0.0054	0.2226	1
Brugia malayi	beta-lactamase family protein	0.0036	0.1411	0.4866
Brugia malayi	hypothetical protein	0.0016	0.0554	0.1404
Echinococcus multilocularis	NADP dependent isocitrate dehydrogenase	0.0016	0.0544	0.1611
Mycobacterium tuberculosis	Probable lipase LipD	0.0036	0.1411	0.0917
Brugia malayi	Isocitrate dehydrogenase	0.0016	0.0544	0.1366
Loa Loa (eye worm)	hypothetical protein	0.0036	0.1411	0.4856
Brugia malayi	CXXC zinc finger family protein	0.0028	0.1089	0.3565
Echinococcus multilocularis	guanine nucleotide binding protein G(s) subunit	0.0047	0.1921	0.7012
Schistosoma mansoni	cpg binding protein	0.003	0.1161	0.4329
Schistosoma mansoni	tar DNA-binding protein	0.0064	0.2683	1
Echinococcus granulosus	guanine nucleotide binding protein Gs subunit	0.0047	0.1921	0.7012
Echinococcus multilocularis	histone lysine N methyltransferase MLL3	0.0009	0.0211	0.0304
Loa Loa (eye worm)	TAR-binding protein	0.0064	0.2683	1
Loa Loa (eye worm)	hypothetical protein	0.0036	0.1411	0.4856
Echinococcus granulosus	guanine nucleotide binding protein Gs subunit	0.0047	0.1921	0.7012
Mycobacterium ulcerans	lipase LipD	0.0036	0.1411	0.5
Loa Loa (eye worm)	hypothetical protein	0.0036	0.1411	0.4856
Loa Loa (eye worm)	hypothetical protein	0.0025	0.0958	0.3021
Echinococcus granulosus	NADP dependent isocitrate dehydrogenase	0.0016	0.0544	0.1611
Onchocerca volvulus		0.0036	0.1411	1
Schistosoma mansoni	cpg binding protein	0.003	0.1161	0.4329
Schistosoma mansoni	tar DNA-binding protein	0.0064	0.2683	1
Mycobacterium ulcerans	fusion of enoyl-CoA hydratase, EchA21 and lipase, LipE	0.0036	0.1411	0.5
Mycobacterium tuberculosis	Probable lipase LipE	0.0036	0.1411	0.0917
Brugia malayi	RNA binding protein	0.0064	0.2683	1
Brugia malayi	beta-lactamase family protein	0.0036	0.1411	0.4866
Schistosoma mansoni	mixed-lineage leukemia protein mll	0.006	0.2514	0.9371

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 911525