TDR Targets

Basic information

Technical information

Name: Unnamed compound
MW: 540.651 | Formula: C36H32N2O3
H donors: 0 H acceptors: 2 LogP: 6.93 Rotable bonds: 10
Rule of 5 violations (Lipinski): 2
SMILES: COc1cc(ccc1OC1Cc2c(C1)cccc2)CN(C(=O)c1ccc(cc1)c1ccccc1)Cc1ccncc1
InChi: 1S/C36H32N2O3/c1-40-35-21-27(11-16-34(35)41-33-22-31-9-5-6-10-32(31)23-33)25-38(24-26-17-19-37-20-18-26)36(39)30-14-12-29(13-15-30)28-7-3-2-4-8-28/h2-21,33H,22-25H2,1H3
InChiKey: XOQHCNAMMQEOOG-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
Entamoeba histolytica	protein kinase, putative	0.0357	0.0957	0.5
Leishmania major	mitogen-activated protein kinase 3, putative,map kinase 3, putative	0.038	0.102	1
Giardia lamblia	Aurora kinase	0.0357	0.0957	0.5
Brugia malayi	Furin-like cysteine rich region family protein	0.1194	0.3327	1
Plasmodium vivax	serine/threonine protein kinase 6, putative	0.0357	0.0957	0.5
Entamoeba histolytica	protein kinase, putative	0.0357	0.0957	0.5
Treponema pallidum	licC protein (licC)	0.0651	0.179	0.5
Echinococcus granulosus	mitogen activated protein kinase 11	0.038	0.102	0.3067
Schistosoma mansoni	nephrin	0.0024	0.0014	0.0041
Trypanosoma cruzi	mitogen-activated protein kinase 3, putative	0.038	0.102	1
Toxoplasma gondii	eukaryotic initiation factor-2B, gamma subunit, putative	0.0651	0.179	1
Loa Loa (eye worm)	AUR protein kinase	0.0357	0.0957	0.2877
Entamoeba histolytica	serine/threonine protein kinase 6, putative	0.0357	0.0957	0.5
Schistosoma mansoni	protein kinase	0.0357	0.0957	0.2877
Onchocerca volvulus	Tyrosine kinase homolog	0.0295	0.0782	1
Echinococcus granulosus	mitogen activated protein kinase 14	0.038	0.102	0.3067
Echinococcus granulosus	melanoma receptor tyrosine protein kinase	0.0643	0.1765	0.5305
Schistosoma mansoni	serine/threonine protein kinase	0.0357	0.0957	0.2877
Brugia malayi	serine/threonine-protein kinase 6	0.0357	0.0957	0.2877
Echinococcus multilocularis	mitogen activated protein kinase 11	0.038	0.102	0.3067
Echinococcus granulosus	twitchin	0.0028	0.0026	0.0078
Brugia malayi	serine/threonine protein kinase 6	0.0357	0.0957	0.2877
Schistosoma mansoni	cell adhesion molecule	0.0025	0.0018	0.0053
Echinococcus granulosus	epidermal growth factor receptor	0.1194	0.3327	1
Trichomonas vaginalis	AGC family protein kinase	0.0357	0.0957	0.5
Loa Loa (eye worm)	hypothetical protein	0.003	0.0031	0.0094
Loa Loa (eye worm)	AUR protein kinase	0.0357	0.0957	0.2877
Trichomonas vaginalis	AGC family protein kinase	0.0357	0.0957	0.5
Brugia malayi	Protein kinase domain containing protein	0.0383	0.103	0.3095
Echinococcus multilocularis	roundabout 2	0.003	0.0031	0.0094
Echinococcus granulosus	aurora kinase A	0.0357	0.0957	0.2877
Echinococcus multilocularis	mitogen activated protein kinase 14	0.038	0.102	0.3067
Echinococcus multilocularis	insulin growth factor 1 receptor beta	0.0383	0.103	0.3095
Plasmodium falciparum	serine/threonine protein kinase, putative	0.0357	0.0957	0.5
Echinococcus granulosus	insulin receptor	0.0383	0.103	0.3095
Entamoeba histolytica	protein kinase , putative	0.0357	0.0957	0.5
Echinococcus multilocularis	insulin receptor	0.0383	0.103	0.3095
Schistosoma mansoni	tyrosine kinase	0.0634	0.1741	0.5233
Schistosoma mansoni	tyrosine kinase	0.0634	0.1741	0.5233
Echinococcus granulosus	serine:threonine protein kinase 12 B	0.0357	0.0957	0.2877
Brugia malayi	Immunoglobulin I-set domain containing protein	0.0316	0.084	0.2525
Wolbachia endosymbiont of Brugia malayi	N-acetylglucosamine-1-phosphate uridyltransferase	0.3552	1	0.5
Mycobacterium ulcerans	bifunctional N-acetylglucosamine-1-phosphate uridyltransferase/glucosamine-1-phosphate acetyltransferase	0.3552	1	1
Echinococcus multilocularis	epidermal growth factor receptor	0.0643	0.1765	0.5305
Schistosoma mansoni	tyrosine kinase	0.0634	0.1741	0.5233
Trichomonas vaginalis	AGC family protein kinase	0.0357	0.0957	0.5
Loa Loa (eye worm)	AUR protein kinase	0.0357	0.0957	0.2877
Echinococcus granulosus	neurotracting:lsamp:neurotrimin:obcam	0.0025	0.0018	0.0053
Loa Loa (eye worm)	CMGC/MAPK/P38 protein kinase	0.038	0.102	0.3067
Echinococcus multilocularis	serine:threonine protein kinase 12 B	0.0357	0.0957	0.2877
Echinococcus multilocularis		0.0369	0.0991	0.2979
Schistosoma mansoni	tyrosine kinase	0.0643	0.1765	0.5305
Schistosoma mansoni	tyrosine kinase	0.0643	0.1765	0.5305
Schistosoma mansoni	tyrosine kinase	0.0383	0.103	0.3095
Loa Loa (eye worm)	TK/INSR protein kinase	0.0383	0.103	0.3095
Echinococcus multilocularis	mitogen activated protein kinase 14	0.038	0.102	0.3067
Brugia malayi	serine/threonine kinase 12	0.0357	0.0957	0.2877
Trichomonas vaginalis	AGC family protein kinase	0.0357	0.0957	0.5
Echinococcus granulosus	neuroglian	0.0024	0.0014	0.0041
Entamoeba histolytica	serine/threonine- protein kinase 6, putative	0.0357	0.0957	0.5
Loa Loa (eye worm)	hypothetical protein	0.0025	0.0018	0.0053
Entamoeba histolytica	protein kinase domain containing protein	0.0357	0.0957	0.5
Schistosoma mansoni	tyrosine kinase	0.0383	0.103	0.3095
Loa Loa (eye worm)	hypothetical protein	0.003	0.0031	0.0094
Brugia malayi	P38 map kinase family protein 2	0.038	0.102	0.3067
Echinococcus multilocularis	neuroglian	0.0024	0.0014	0.0041
Mycobacterium tuberculosis	Probable UDP-N-acetylglucosamine pyrophosphorylase GlmU	0.3552	1	1
Trypanosoma brucei	mitogen-activated protein kinase 3, putative	0.038	0.102	1
Schistosoma mansoni	tyrosine kinase	0.002	0.0001	0.0004
Echinococcus granulosus	insulin growth factor 1 receptor beta	0.0383	0.103	0.3095
Echinococcus multilocularis	epidermal growth factor receptor	0.1194	0.3327	1
Schistosoma mansoni	tyrosine kinase	0.1194	0.3327	1
Entamoeba histolytica	serine/threonine- protein kinase 6 , putative	0.0357	0.0957	0.5
Echinococcus granulosus	roundabout 2	0.003	0.0031	0.0094
Echinococcus multilocularis	mitogen activated protein kinase 11	0.038	0.102	0.3067
Loa Loa (eye worm)	TK/KIN16 protein kinase	0.0316	0.084	0.2525
Loa Loa (eye worm)	TK/EGFR protein kinase	0.1194	0.3327	1
Trypanosoma cruzi	mitogen-activated protein kinase 3, putative	0.038	0.102	1
Echinococcus multilocularis	aurora kinase A	0.0357	0.0957	0.2877
Echinococcus granulosus	epidermal growth factor receptor	0.0643	0.1765	0.5305

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 820600