TDR Targets

Basic information

Technical information

Name: Unnamed compound
MW: 452.544 | Formula: C29H28N2O3
H donors: 1 H acceptors: 2 LogP: 5.06 Rotable bonds: 7
Rule of 5 violations (Lipinski): 1
SMILES: COc1ccc(c(c1)O)/C(=N/Cc1ccc(cc1)C)/c1ccc(=O)n(c1)Cc1ccc(cc1)C
InChi: 1S/C29H28N2O3/c1-20-4-8-22(9-5-20)17-30-29(26-14-13-25(34-3)16-27(26)32)24-12-15-28(33)31(19-24)18-23-10-6-21(2)7-11-23/h4-16,19,32H,17-18H2,1-3H3/b30-29+
InChiKey: DXIVJBCUENUHLL-QVIHXGFCSA-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	serine/threonine protein kinase	0.0098	0.2939	0.3242
Schistosoma mansoni	kinase	0.005	0.1321	0.1457
Trichomonas vaginalis	dihydrodiol dehydrogenase, putative	0.0097	0.2924	0.2748
Trichomonas vaginalis	aldo-keto reductase, putative	0.0097	0.2924	0.2748
Trichomonas vaginalis	CAMK family protein kinase	0.0098	0.2939	0.2766
Echinococcus granulosus	aldo keto reductase family 1 member B4	0.0097	0.2924	0.2924
Plasmodium falciparum	aldehyde reductase, putative	0.0028	0.0597	0.5
Echinococcus multilocularis	aldo keto reductase family 1, member B4	0.0097	0.2924	0.2924
Leishmania major	prostaglandin f synthase, putative	0.0097	0.2924	0.9936
Onchocerca volvulus	Serine\/threonine kinase homolog	0.0098	0.2939	0.372
Loa Loa (eye worm)	hypothetical protein	0.0097	0.2924	0.2924
Trichomonas vaginalis	dihydrodiol dehydrogenase, putative	0.0097	0.2924	0.2748
Giardia lamblia	Kinase, PLK	0.0098	0.2939	1
Echinococcus multilocularis	aldo keto reductase family 1, member B4	0.0097	0.2924	0.2924
Onchocerca volvulus		0.0031	0.0688	0.0871
Trichomonas vaginalis	CAMK family protein kinase	0.0098	0.2939	0.2766
Onchocerca volvulus		0.0097	0.2924	0.3701
Trichomonas vaginalis	aldo-keto reductase, putative	0.0097	0.2924	0.2748
Brugia malayi	oxidoreductase, aldo/keto reductase family protein	0.0097	0.2924	0.2924
Echinococcus multilocularis	histone lysine methyltransferase setb histone lysine methyltransferase eggless	0.0031	0.0688	0.0688
Trichomonas vaginalis	set domain proteins, putative	0.0245	0.7902	0.8625
Mycobacterium leprae	PROBABLE OXIDOREDUCTASE	0.0097	0.2924	1
Trichomonas vaginalis	glutaminase, putative	0.0279	0.9067	1
Echinococcus multilocularis	voltage gated potassium channel subunit	0.0028	0.0597	0.0597
Trichomonas vaginalis	aldo/keto reductase, putative	0.0097	0.2924	0.2748
Echinococcus multilocularis	histone lysine N methyltransferase SETMAR	0.0031	0.0688	0.0688
Trichomonas vaginalis	aldo-keto reductase, putative	0.0097	0.2924	0.2748
Schistosoma mansoni	aldo-keto reductase	0.0097	0.2924	0.3225
Trypanosoma brucei	aldo-keto reductase, putative	0.0097	0.2924	0.9936
Brugia malayi	glutamate-cysteine ligase modifier subunit	0.0028	0.0597	0.0597
Echinococcus granulosus	aldo keto reductase family 1 member B4	0.0097	0.2924	0.2924
Trichomonas vaginalis	aldo-keto reductase, putative	0.0097	0.2924	0.2748
Echinococcus granulosus	5'partial\|histone lysine N methyltransferase SETDB2	0.003	0.065	0.065
Echinococcus granulosus	aldo keto reductase family 1 member B4	0.0097	0.2924	0.2924
Trichomonas vaginalis	aldo-keto reductase, putative	0.0097	0.2924	0.2748
Trichomonas vaginalis	CAMK family protein kinase	0.0098	0.2939	0.2766
Echinococcus multilocularis	aldo keto reductase family 1, member B4	0.0097	0.2924	0.2924
Entamoeba histolytica	aldose reductase, putative	0.0097	0.2924	0.9936
Loa Loa (eye worm)	oxidoreductase	0.0097	0.2924	0.2924
Leishmania major	aldehyde reductase, putative,oxidoreductase, putative	0.0097	0.2924	0.9936
Brugia malayi	Pre-SET motif family protein	0.0031	0.0688	0.0688
Trichomonas vaginalis	aldo/keto reductase, putative	0.0097	0.2924	0.2748
Loa Loa (eye worm)	oxidoreductase	0.0097	0.2924	0.2924
Schistosoma mansoni	potassium channel beta	0.0028	0.0597	0.0658
Echinococcus multilocularis	aldo keto reductase family 1, member B4	0.0097	0.2924	0.2924
Plasmodium vivax	SET domain protein, putative	0.0031	0.0688	1
Trichomonas vaginalis	aldo-keto reductase, putative	0.0097	0.2924	0.2748
Brugia malayi	serine/threonine-protein kinase plk-2	0.0098	0.2939	0.2939
Loa Loa (eye worm)	oxidoreductase	0.0097	0.2924	0.2924
Leishmania major	aldo-keto reductase-like protein	0.0097	0.2924	0.9936
Echinococcus granulosus	geminin	0.0173	0.5486	0.5486
Echinococcus granulosus	aldo keto reductase family 1 member B4	0.0097	0.2924	0.2924
Echinococcus multilocularis	aldo keto reductase family 1, member B4	0.0097	0.2924	0.2924
Echinococcus granulosus	aldo keto reductase family 1, member B4	0.0028	0.0597	0.0597
Trichomonas vaginalis	aldo-keto reductase, putative	0.0097	0.2924	0.2748
Echinococcus multilocularis	aldo keto reductase family 1, member B4	0.0097	0.2924	0.2924
Echinococcus multilocularis	aldo keto reductase family 1, member B4	0.0097	0.2924	0.2924
Loa Loa (eye worm)	PLK/PLK1 protein kinase	0.0098	0.2939	0.2939
Entamoeba histolytica	serine/threonine protein kinase, putative	0.0098	0.2939	1
Toxoplasma gondii	histone lysine methyltransferase SET/SUV39	0.0031	0.0688	0.0392
Loa Loa (eye worm)	glutaminase 2	0.0279	0.9067	0.9067
Brugia malayi	oxidoreductase, aldo/keto reductase family protein	0.0097	0.2924	0.2924
Onchocerca volvulus		0.0097	0.2924	0.3701
Onchocerca volvulus		0.0245	0.7902	1
Echinococcus multilocularis	aldo keto reductase family 1, member B4	0.0097	0.2924	0.2924
Mycobacterium ulcerans	oxidoreductase	0.0097	0.2924	0.2748
Trichomonas vaginalis	aldo-keto reductase, putative	0.0097	0.2924	0.2748
Entamoeba histolytica	aldose reductase, putative	0.0097	0.2924	0.9936
Schistosoma mansoni	histone-lysine n-methyltransferase setb1	0.0031	0.0688	0.0759
Trichomonas vaginalis	aldo-keto reductase, putative	0.0097	0.2924	0.2748
Schistosoma mansoni	hypothetical protein	0.0173	0.5486	0.6051
Onchocerca volvulus		0.0097	0.2924	0.3701
Loa Loa (eye worm)	oxidoreductase	0.0097	0.2924	0.2924
Schistosoma mansoni	hypothetical protein	0.0173	0.5486	0.6051
Echinococcus granulosus	aldo keto reductase family 1 member B4	0.0097	0.2924	0.2924
Trichomonas vaginalis	aldo-keto reductase, putative	0.0097	0.2924	0.2748
Trichomonas vaginalis	CAMK family protein kinase	0.0098	0.2939	0.2766
Trypanosoma cruzi	polo-like protein kinase, putative	0.0098	0.2939	1
Onchocerca volvulus		0.0097	0.2924	0.3701
Trichomonas vaginalis	aldo/keto reductase, putative	0.0097	0.2924	0.2748
Brugia malayi	NADH-dependent xylose reductase	0.0028	0.0597	0.0597
Trypanosoma cruzi	polo-like protein kinase, putative	0.0098	0.2939	1
Onchocerca volvulus		0.0028	0.0597	0.0755
Entamoeba histolytica	aldose reductase, putative	0.0097	0.2924	0.9936
Echinococcus multilocularis	aldo keto reductase	0.0097	0.2924	0.2924
Mycobacterium ulcerans	glutaminase	0.0279	0.9067	1
Brugia malayi	oxidoreductase, aldo/keto reductase family protein	0.0097	0.2924	0.2924
Echinococcus granulosus	aldo keto reductase	0.0097	0.2924	0.2924
Trypanosoma brucei	polo-like protein kinase	0.0098	0.2939	1
Trypanosoma cruzi	aldo-keto reductase	0.0097	0.2924	0.9936
Loa Loa (eye worm)	glutamate-cysteine ligase modifier subunit	0.0028	0.0597	0.0597
Loa Loa (eye worm)	hypothetical protein	0.0031	0.0688	0.0688
Trypanosoma cruzi	aldo/keto reductase, putative	0.0097	0.2924	0.9936
Trichomonas vaginalis	CAMK family protein kinase	0.0048	0.1277	0.0803
Schistosoma mansoni	glutaminase	0.0279	0.9067	1
Mycobacterium tuberculosis	Probable oxidoreductase	0.0097	0.2924	1
Trichomonas vaginalis	CAMK family protein kinase	0.0048	0.1277	0.0803
Echinococcus granulosus	aldo keto reductase	0.0097	0.2924	0.2924
Loa Loa (eye worm)	glutaminase	0.0279	0.9067	0.9067
Onchocerca volvulus		0.0097	0.2924	0.3701
Schistosoma mansoni	histone-lysine n-methyltransferase suv9	0.0031	0.0688	0.0759
Trichomonas vaginalis	CAMK family protein kinase	0.0098	0.2939	0.2766
Echinococcus granulosus	aldo keto reductase	0.0097	0.2924	0.2924
Brugia malayi	Pre-SET motif family protein	0.0215	0.69	0.69
Trichomonas vaginalis	CAMK family protein kinase	0.0098	0.2939	0.2766
Trichomonas vaginalis	aldo-keto reductase, putative	0.0097	0.2924	0.2748
Toxoplasma gondii	aldose reductase, putative	0.0097	0.2924	1
Echinococcus multilocularis	aldo keto reductase	0.0097	0.2924	0.2924
Brugia malayi	oxidoreductase, aldo/keto reductase family protein	0.0097	0.2924	0.2924
Schistosoma mansoni	histone-lysine n-methyltransferase setb1	0.0031	0.0688	0.0759
Echinococcus multilocularis	geminin	0.0173	0.5486	0.5486
Echinococcus multilocularis	aldo keto reductase family 1, member B4	0.0097	0.2924	0.2924
Schistosoma mansoni	pol-related	0.0097	0.2924	0.3225
Schistosoma mansoni	histone-lysine n-methyltransferase setb1	0.0031	0.0688	0.0759
Trichomonas vaginalis	dihydrodiol dehydrogenase, putative	0.0097	0.2924	0.2748
Mycobacterium leprae	Conserved hypothetical protein	0.0069	0.1975	0.5922
Brugia malayi	glutaminase DH11.1	0.0279	0.9067	0.9067
Echinococcus multilocularis	aldehyde reductase	0.0069	0.1975	0.1975
Leishmania major	protein kinase, putative,polo-like protein kinase, putative	0.0098	0.2939	1
Trypanosoma brucei	prostaglandin f synthase	0.0097	0.2924	0.9936
Trichomonas vaginalis	aldo-keto reductase, putative	0.0097	0.2924	0.2748
Echinococcus multilocularis	aldo keto reductase	0.0097	0.2924	0.2924
Echinococcus granulosus	voltage gated potassium channel subunit	0.0028	0.0597	0.0597
Echinococcus granulosus	aldo keto reductase family 1 member B4	0.0097	0.2924	0.2924
Leishmania major	prostaglandin f2-alpha synthase/D-arabinose dehydrogenase	0.0097	0.2924	0.9936
Echinococcus granulosus	aldo keto reductase family 1 member B4	0.0097	0.2924	0.2924
Echinococcus granulosus	hypothetical protein	0.0097	0.2924	0.2924
Echinococcus granulosus	aldehyde reductase	0.0069	0.1975	0.1975
Schistosoma mansoni	aldo-keto reductase	0.0097	0.2924	0.3225
Onchocerca volvulus		0.0097	0.2924	0.3701
Echinococcus multilocularis	serine:threonine protein kinase PLK1	0.0098	0.2939	0.2939
Plasmodium falciparum	aldo-keto reductase, putative	0.0028	0.0597	0.5
Loa Loa (eye worm)	pre-SET domain-containing protein family protein	0.0215	0.69	0.69
Echinococcus multilocularis	aldo keto reductase family 1, member B4	0.0097	0.2924	0.2924
Trichomonas vaginalis	CAMK family protein kinase	0.0098	0.2939	0.2766
Echinococcus granulosus	serine:threonine protein kinase PLK1	0.0098	0.2939	0.2939
Echinococcus granulosus	aldo keto reductase family 1 member B4	0.0097	0.2924	0.2924
Echinococcus granulosus	aldo keto reductase family 1 member B4	0.0097	0.2924	0.2924
Echinococcus multilocularis	aldo keto reductase	0.0097	0.2924	0.2924
Echinococcus multilocularis	aldo keto reductase family 1, member B4	0.0097	0.2924	0.2924
Loa Loa (eye worm)	oxidoreductase	0.0097	0.2924	0.2924
Echinococcus granulosus	histone lysine methyltransferase setb	0.0031	0.0688	0.0688

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: CHEMBL582798

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 1078229