TDR Targets

Basic information

Technical information

Name: Unnamed compound
MW: 556.695 | Formula: C33H40N4O4
H donors: 0 H acceptors: 3 LogP: 5.04 Rotable bonds: 8
Rule of 5 violations (Lipinski): 2
SMILES: COC1=C[C@@H]2[C@@H]3Cc4c([C@@]2(CC1=O)CCN3C)c(OCc1nnn(c1)Cc1ccc(cc1)C(C)(C)C)c(cc4)OC
InChi: 1S/C33H40N4O4/c1-32(2,3)23-10-7-21(8-11-23)18-37-19-24(34-35-37)20-41-31-28(39-5)12-9-22-15-26-25-16-29(40-6)27(38)17-33(25,30(22)31)13-14-36(26)4/h7-12,16,19,25-26H,13-15,17-18,20H2,1-6H3/t25-,26+,33-/m1/s1
InChiKey: ZJDONBMPNXZYKL-YPMZNXIVSA-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 granulosus	tar DNA binding protein	0.0069	0.0385	0.0052
Schistosoma mansoni	hypothetical protein	0.0137	0.0842	0.0842
Schistosoma mansoni	serine/threonine protein kinase	0.0496	0.326	0.326
Trypanosoma brucei	protein kinase, putative	0.0496	0.326	0.5
Echinococcus multilocularis	tar DNA binding protein	0.0069	0.0385	0.0036
Brugia malayi	TAR-binding protein	0.0069	0.0385	0.0118
Giardia lamblia	Kinase, CMGC MAPK	0.0496	0.326	0.5
Schistosoma mansoni	tar DNA-binding protein	0.0069	0.0385	0.0385
Trypanosoma cruzi	mitogen-activated protein kinase 11, putative	0.0496	0.326	0.5
Schistosoma mansoni	tar DNA-binding protein	0.0069	0.0385	0.0385
Leishmania major	mitogen activated protein kinase 4, putative;with=GeneDB:LmxM19.1440	0.0496	0.326	0.5
Loa Loa (eye worm)	CMGC/MAPK/ERK1 protein kinase	0.0496	0.326	1
Brugia malayi	RNA recognition motif domain containing protein	0.0069	0.0385	0.0118
Loa Loa (eye worm)	TAR-binding protein	0.0069	0.0385	0.0118
Schistosoma mansoni	histone-lysine n-methyltransferase setb1	0.0064	0.0351	0.0351
Echinococcus multilocularis	mitogen activated protein kinase 3	0.0496	0.326	0.3014
Schistosoma mansoni	microtubule-associated protein tau	0.1497	1	1
Trypanosoma cruzi	mitogen-activated protein kinase 11, putative	0.0496	0.326	0.5
Echinococcus granulosus	tumor protein p63	0.1075	0.7159	0.706
Onchocerca volvulus		0.0505	0.332	1
Echinococcus multilocularis	Mitotic checkpoint protein PRCC, C terminal	0.0137	0.0842	0.0509
Echinococcus multilocularis	tumor protein p63	0.1075	0.7159	0.7056
Echinococcus granulosus	mitogen activated protein kinase	0.0496	0.326	0.3026
Loa Loa (eye worm)	RNA recognition domain-containing protein domain-containing protein	0.0069	0.0385	0.0118
Brugia malayi	MAP kinase sur-1	0.0496	0.326	1
Schistosoma mansoni	tar DNA-binding protein	0.0069	0.0385	0.0385
Schistosoma mansoni	histone-lysine n-methyltransferase setb1	0.0064	0.0351	0.0351
Brugia malayi	RNA binding protein	0.0069	0.0385	0.0118
Toxoplasma gondii	CMGC kinase, MAPK family (ERK) MAPK-1	0.0496	0.326	1
Schistosoma mansoni	thyroid hormone receptor	0.0148	0.0916	0.0916
Plasmodium vivax	SET domain protein, putative	0.0064	0.0351	0.5
Echinococcus multilocularis	microtubule associated protein 2	0.1497	1	1
Onchocerca volvulus		0.0157	0.0982	0.2125
Echinococcus multilocularis	thyroid hormone receptor alpha	0.0148	0.0916	0.0585
Loa Loa (eye worm)	hypothetical protein	0.0157	0.0982	0.2169
Echinococcus multilocularis	mitogen activated protein kinase	0.0496	0.326	0.3014
Trypanosoma cruzi	mitogen activated protein kinase 4, putative	0.0496	0.326	0.5
Schistosoma mansoni	cellular tumor antigen P53	0.0157	0.0982	0.0982
Trypanosoma cruzi	mitogen activated protein kinase 2, putative	0.0496	0.326	0.5
Loa Loa (eye worm)	RNA binding protein	0.0069	0.0385	0.0118
Echinococcus granulosus	histone lysine methyltransferase setb	0.0064	0.0351	0.0016
Trichomonas vaginalis	set domain proteins, putative	0.0505	0.332	1
Schistosoma mansoni	tar DNA-binding protein	0.0069	0.0385	0.0385
Schistosoma mansoni	histone-lysine n-methyltransferase setb1	0.0064	0.0351	0.0351
Leishmania major	mitogen activated protein kinase, putative,map kinase, putative	0.0496	0.326	0.5
Echinococcus granulosus	Mitotic checkpoint protein PRCC C terminal	0.0137	0.0842	0.0524
Schistosoma mansoni	thyroid hormone receptor	0.0148	0.0916	0.0916
Brugia malayi	Pre-SET motif family protein	0.0443	0.2908	0.8791
Echinococcus granulosus	mitogen activated protein kinase 3	0.0496	0.326	0.3026
Loa Loa (eye worm)	pre-SET domain-containing protein family protein	0.0443	0.2908	0.8791
Schistosoma mansoni	tar DNA-binding protein	0.0069	0.0385	0.0385
Trypanosoma brucei	mitogen activated protein kinase 4, putative	0.0496	0.326	0.5
Schistosoma mansoni	histone-lysine n-methyltransferase suv9	0.0064	0.0351	0.0351

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: CHEMBL2069874

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 1660374