TDR Targets

Basic information

Technical information

Name: Unnamed compound
MW: 303.354 | Formula: C20H17NO2
H donors: 2 H acceptors: 3 LogP: 4.96 Rotable bonds: 3
Rule of 5 violations (Lipinski): 1
SMILES: Oc1ccc(cc1)C(=C(c1ccccn1)C)c1ccc(cc1)O
InChi: 1S/C20H17NO2/c1-14(19-4-2-3-13-21-19)20(15-5-9-17(22)10-6-15)16-7-11-18(23)12-8-16/h2-13,22-23H,1H3
InChiKey: CNRICLWLYPRKFF-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
Trypanosoma cruzi	methylthioadenosine phosphorylase, putative	0.0356	0.1233	1
Mycobacterium tuberculosis	Hypothetical protein	0.0356	0.1233	0.7343
Mycobacterium leprae	probable uridine phosphorylase	0.2525	1	1
Loa Loa (eye worm)	hypothetical protein	0.0073	0.009	0.009
Mycobacterium ulcerans	bifunctional Mta/Sah nucleosidase Mtn	0.0356	0.1233	1
Plasmodium vivax	purine nucleoside phosphorylase, putative	0.0356	0.1233	1
Toxoplasma gondii	phosphorylase family protein	0.0356	0.1233	1
Loa Loa (eye worm)	MH2 domain-containing protein	0.0113	0.0251	0.0251
Trichomonas vaginalis	purine nucleoside phosphorylase, putative	0.0356	0.1233	1
Echinococcus granulosus	purine nucleoside phosphorylase	0.0356	0.1233	0.122
Mycobacterium tuberculosis	Probable bifunctional MTA/SAH nucleosidase Mtn: 5'-methylthioadenosine nucleosidase (methylthioadenosine methylthioribohydrolase	0.0356	0.1233	0.7343
Treponema pallidum	purine nucleoside phosphorylase (deoD)	0.0356	0.1233	0.5
Treponema pallidum	uridine phosphorylase (udp)	0.0356	0.1233	0.5
Loa Loa (eye worm)	beta-lactamase	0.0073	0.009	0.009
Trypanosoma cruzi	nucleoside phosphorylase, putative	0.0356	0.1233	1
Treponema pallidum	pfs protein (pfs)	0.0356	0.1233	0.5
Schistosoma mansoni	purine nucleoside phosphorylase	0.0356	0.1233	0.122
Loa Loa (eye worm)	S-methyl-5'-thioadenosine phosphorylase MTAP	0.0356	0.1233	0.1233
Giardia lamblia	5-methylthioadenosine nucleosidase, S-adenosylhomocysteine nucleosidase	0.0356	0.1233	0.5
Loa Loa (eye worm)	hypothetical protein	0.0073	0.009	0.009
Chlamydia trachomatis	AMP nucleosidase	0.0356	0.1233	0.5
Echinococcus granulosus	purine nucleoside phosphorylase	0.0356	0.1233	0.122
Toxoplasma gondii	Purine nucleoside phosphorylase	0.0356	0.1233	1
Giardia lamblia	UPL-1	0.0356	0.1233	0.5
Trypanosoma cruzi	nucleoside phosphorylase, putative	0.0356	0.1233	1
Trypanosoma cruzi	nucleoside phosphorylase, putative	0.0356	0.1233	1
Brugia malayi	purine nucleoside phosphorylase I, inosine and guanosine-specific family protein	0.0356	0.1233	0.122
Trichomonas vaginalis	purine nucleoside phosphorylase, putative	0.0356	0.1233	1
Mycobacterium tuberculosis	Probable esterase/lipase LipP	0.0073	0.009	0.0453
Mycobacterium ulcerans	fusion of enoyl-CoA hydratase, EchA21 and lipase, LipE	0.0073	0.009	0.0617
Echinococcus multilocularis	uridine phosphorylase 1	0.2525	1	1
Loa Loa (eye worm)	transcription factor SMAD2	0.0113	0.0251	0.0251
Brugia malayi	beta-lactamase family protein	0.0073	0.009	0.0075
Echinococcus granulosus	geminin	0.0182	0.0533	0.0519
Mycobacterium tuberculosis	Conserved protein	0.0073	0.009	0.0453
Echinococcus multilocularis	beta LACTamase domain containing family member	0.0073	0.009	0.0075
Giardia lamblia	5-methylthioadenosine nucleosidase, S-adenosylhomocysteine nucleosidase	0.0356	0.1233	0.5
Leishmania major	methylthioadenosine phosphorylase, putative	0.0356	0.1233	1
Echinococcus multilocularis	purine nucleoside phosphorylase	0.0356	0.1233	0.122
Echinococcus multilocularis	purine nucleoside phosphorylase	0.0356	0.1233	0.122
Schistosoma mansoni	purine nucleoside phosphorylase	0.0356	0.1233	0.122
Loa Loa (eye worm)	hypothetical protein	0.0073	0.009	0.009
Echinococcus granulosus	purine nucleoside phosphorylase	0.0356	0.1233	0.122
Mycobacterium tuberculosis	Probable lipase LipD	0.0073	0.009	0.0453
Giardia lamblia	Purine nucleoside phosphorylase lateral transfer candidate	0.0356	0.1233	0.5
Entamoeba histolytica	purine nucleoside phosphorylase, putative	0.0356	0.1233	0.5
Echinococcus granulosus	beta LACTamase domain containing family member	0.0073	0.009	0.0075
Trichomonas vaginalis	conserved hypothetical protein	0.0356	0.1233	1
Plasmodium falciparum	purine nucleoside phosphorylase	0.0356	0.1233	0.5
Mycobacterium tuberculosis	Probable lipase LipE	0.0073	0.009	0.0453
Brugia malayi	MTAP	0.0356	0.1233	0.122
Schistosoma mansoni	methylthioadenosine phosphorylase	0.0356	0.1233	0.122
Mycobacterium ulcerans	lipase LipD	0.0073	0.009	0.0617
Leishmania major	hypothetical protein, conserved	0.0073	0.009	0.0617
Echinococcus multilocularis	methylthioadenosine phosphorylase	0.0356	0.1233	0.122
Mycobacterium ulcerans	hypothetical protein	0.0073	0.009	0.0617
Echinococcus multilocularis	geminin	0.0182	0.0533	0.0519
Echinococcus granulosus	purine nucleoside phosphorylase	0.0356	0.1233	0.122
Trypanosoma brucei	methylthioadenosine phosphorylase, putative	0.0356	0.1233	1
Echinococcus multilocularis	purine nucleoside phosphorylase	0.0356	0.1233	0.122
Brugia malayi	MH2 domain containing protein	0.0113	0.0251	0.0237
Schistosoma mansoni	uridine phosphorylase	0.2525	1	1
Brugia malayi	beta-lactamase family protein	0.0073	0.009	0.0075
Entamoeba histolytica	MTA/SAH nucleosidase, putative	0.0356	0.1233	0.5
Echinococcus multilocularis	purine nucleoside phosphorylase	0.0356	0.1233	0.122
Trichomonas vaginalis	purine nucleoside phosphorylase, putative	0.0356	0.1233	1
Schistosoma mansoni	methylthioadenosine phosphorylase	0.0356	0.1233	0.122
Loa Loa (eye worm)	hypothetical protein	0.0073	0.009	0.009
Echinococcus multilocularis	purine nucleoside phosphorylase	0.0356	0.1233	0.122
Echinococcus granulosus	uridine phosphorylase 1	0.2525	1	1
Trichomonas vaginalis	conserved hypothetical protein	0.0356	0.1233	1
Mycobacterium tuberculosis	Conserved protein	0.0073	0.009	0.0453
Loa Loa (eye worm)	hypothetical protein	0.0073	0.009	0.009
Mycobacterium tuberculosis	Probable esterase LipL	0.0073	0.009	0.0453
Leishmania major	nucleoside phosphorylase-like protein	0.0356	0.1233	1
Mycobacterium tuberculosis	Conserved hypothetical protein	0.0356	0.1233	0.7343
Mycobacterium ulcerans	beta-lactamase	0.0073	0.009	0.0617
Mycobacterium tuberculosis	Probable purine nucleoside phosphorylase DeoD (inosine phosphorylase) (PNP)	0.0356	0.1233	0.7343
Entamoeba histolytica	purine nucleoside phosphorylase, putative	0.0356	0.1233	0.5
Brugia malayi	Hypothetical 52.5 kDa protein ZK945.1 in chromosome II, putative	0.0073	0.009	0.0075
Trichomonas vaginalis	purine nucleoside phosphorylase I, putative	0.0356	0.1233	1
Entamoeba histolytica	purine nucleoside phosphorylase, putative	0.0356	0.1233	0.5
Mycobacterium ulcerans	esterase/lipase LipP	0.0073	0.009	0.0617
Trichomonas vaginalis	purine nucleoside phosphorylase, putative	0.0356	0.1233	1
Trypanosoma brucei	uridine phosphorylase	0.0356	0.1233	1
Entamoeba histolytica	purine nucleoside phosphorylase, putative	0.0356	0.1233	0.5
Schistosoma mansoni	uridine phosphorylase	0.2525	1	1
Trypanosoma cruzi	methylthioadenosine phosphorylase, putative	0.0356	0.1233	1
Loa Loa (eye worm)	uridine phosphorylase	0.2525	1	1
Echinococcus granulosus	purine nucleoside phosphorylase	0.0356	0.1233	0.122
Brugia malayi	beta-lactamase	0.0073	0.009	0.0075
Echinococcus multilocularis	purine nucleoside phosphorylase	0.0356	0.1233	0.122
Schistosoma mansoni	hypothetical protein	0.0182	0.0533	0.0519
Loa Loa (eye worm)	beta-LACTamase domain containing family member	0.0073	0.009	0.009
Trichomonas vaginalis	purine nucleoside phosphorylase, putative	0.0356	0.1233	1
Mycobacterium tuberculosis	Possible conserved lipoprotein LpqK	0.0073	0.009	0.0453
Mycobacterium leprae	Probable purine nucleoside phosphorylase DeoD (INOSINE PHOSPHORYLASE) (PNP)	0.0356	0.1233	0.1153
Onchocerca volvulus	Purine nucleoside phosphorylase homolog	0.0356	0.1233	1
Echinococcus granulosus	purine nucleoside phosphorylase	0.0356	0.1233	0.122
Entamoeba histolytica	hypothetical protein	0.0356	0.1233	0.5
Mycobacterium tuberculosis	Probable hydrolase	0.0073	0.009	0.0453
Mycobacterium tuberculosis	Conserved protein	0.0073	0.009	0.0453
Entamoeba histolytica	purine nucleoside phosphorylase, putative	0.0356	0.1233	0.5
Mycobacterium tuberculosis	Possible penicillin-binding protein	0.0465	0.1674	1
Schistosoma mansoni	family S12 unassigned peptidase (S12 family)	0.0073	0.009	0.0075
Toxoplasma gondii	phosphorylase family protein	0.0356	0.1233	1
Trichomonas vaginalis	purine nucleoside phosphorylase, putative	0.0356	0.1233	1
Trichomonas vaginalis	purine nucleoside phosphorylase, putative	0.0356	0.1233	1
Schistosoma mansoni	hypothetical protein	0.0182	0.0533	0.0519
Loa Loa (eye worm)	hypothetical protein	0.0073	0.009	0.009
Echinococcus granulosus	purine nucleoside phosphorylase	0.0356	0.1233	0.122
Schistosoma mansoni	family S12 unassigned peptidase (S12 family)	0.0073	0.009	0.0075
Mycobacterium tuberculosis	Probable conserved lipoprotein	0.0073	0.009	0.0453
Echinococcus granulosus	purine nucleoside phosphorylase	0.0356	0.1233	0.122
Echinococcus granulosus	methylthioadenosine phosphorylase	0.0356	0.1233	0.122
Mycobacterium ulcerans	5'-methylthioadenosine phosphorylase	0.0356	0.1233	1
Schistosoma mansoni	methylthioadenosine phosphorylase	0.0356	0.1233	0.122
Mycobacterium ulcerans	purine nucleoside phosphorylase	0.0356	0.1233	1

Activities

Activity type	Activity value	Assay description	Source	Reference
Relative binding affinity (binding)	= 30	Relative binding affinity for lamb uterine estrogen receptor relative to 17-beta-estradiol	ChEMBL.	9934476

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

No external resources registered for this compound

Bibliographic References

1 literature reference was collected for this gene.

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Detailed information for compound 206741