TDR Targets

Basic information

Technical information

Name: Unnamed compound
MW: 189.211 | Formula: C11H11NO2
H donors: 2 H acceptors: 2 LogP: 0.95 Rotable bonds: 1
Rule of 5 violations (Lipinski): 1
SMILES: O[C@H]1C(=O)C=CN[C@@H]1c1ccccc1
InChi: 1S/C11H11NO2/c13-9-6-7-12-10(11(9)14)8-4-2-1-3-5-8/h1-7,10-12,14H/t10-,11+/m1/s1
InChiKey: AYECDIUUAKEARS-MNOVXSKESA-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	dna polymerase eta	0.0019	0.0204	0.0204
Brugia malayi	ImpB/MucB/SamB family protein	0.0019	0.0204	0.0841
Giardia lamblia	Hypothetical protein	0.0262	0.581	1
Echinococcus multilocularis	geminin	0.0164	0.3541	0.3541
Trypanosoma brucei	DNA polymerase kappa, putative	0.0019	0.0204	0.0134
Mycobacterium tuberculosis	Possible DNA-damage-inducible protein P DinP (DNA polymerase V) (pol IV 2) (DNA nucleotidyltransferase (DNA-directed))	0.0019	0.0204	0.5
Schistosoma mansoni	regulator of G protein signaling 3 rgs3	0.0019	0.0201	0.0201
Trypanosoma cruzi	6-phosphofructo-2-kinase/fructose-2,6-biphosphatase, putative	0.019	0.4138	0.4016
Trypanosoma brucei	DNA polymerase IV, putative	0.0019	0.0204	0.0134
Trypanosoma brucei	DNA polymerase kappa, putative	0.0019	0.0204	0.0134
Echinococcus multilocularis	regulator of G protein signaling 3	0.0019	0.0201	0.0201
Mycobacterium ulcerans	hypothetical protein	0.0262	0.581	1
Loa Loa (eye worm)	hypothetical protein	0.0019	0.0201	0.0201
Trichomonas vaginalis	DNA polymerase eta, putative	0.0019	0.0204	1
Trypanosoma brucei	DNA polymerase kappa, putative	0.0019	0.0204	0.0134
Echinococcus multilocularis	beta adrenergic receptor kinase	0.0019	0.0201	0.0201
Mycobacterium ulcerans	fructose-2,6-bisphosphatase GpmB	0.0262	0.581	1
Echinococcus granulosus	Basic leucine zipper bZIP transcription	0.0035	0.0575	0.0575
Echinococcus multilocularis	dna polymerase kappa	0.0019	0.0204	0.0204
Trypanosoma brucei	DNA polymerase kappa, putative	0.0019	0.0204	0.0134
Trichomonas vaginalis	DNA polymerase IV / kappa, putative	0.0019	0.0204	1
Schistosoma mansoni	regulator of G protein signaling	0.0019	0.0201	0.0201
Echinococcus granulosus	A kinase anchor protein 10 mitochondrial	0.0019	0.0201	0.0201
Schistosoma mansoni	transcription factor LCR-F1	0.0035	0.0575	0.0575
Brugia malayi	Regulator of G protein signaling domain containing protein	0.0019	0.0201	0.0829
Echinococcus multilocularis	axis inhibition protein axin	0.0019	0.0201	0.0201
Trypanosoma brucei	DNA polymerase kappa, putative	0.0019	0.0204	0.0134
Echinococcus granulosus	regulator of G protein signaling 3	0.0019	0.0201	0.0201
Trypanosoma brucei	DNA polymerase kappa, putative	0.0019	0.0204	0.0134
Loa Loa (eye worm)	hypothetical protein	0.0437	0.9827	0.9827
Echinococcus granulosus	regulator of G protein signaling 3	0.0019	0.0201	0.0201
Echinococcus granulosus	dna polymerase kappa	0.0019	0.0204	0.0204
Trypanosoma brucei	DNA polymerase kappa, putative	0.0019	0.0204	0.0134
Schistosoma mansoni	serine/threonine protein kinase	0.0019	0.0201	0.0201
Leishmania major	6-phosphofructo-2-kinase/fructose-2,6-biphosphatase, putative	0.0445	1	1
Echinococcus granulosus	expressed protein	0.0361	0.8069	0.8069
Loa Loa (eye worm)	hypothetical protein	0.0019	0.0201	0.0201
Trypanosoma cruzi	6-phosphofructo-2-kinase 1	0.0437	0.9827	0.9824
Loa Loa (eye worm)	AGC/GRK/BARK protein kinase	0.0019	0.0201	0.0201
Brugia malayi	regulator of G-protein signaling rgs-7	0.0019	0.0201	0.0829
Schistosoma mansoni	terminal deoxycytidyl transferase	0.0019	0.0204	0.0204
Schistosoma mansoni	rab geranylgeranyl transferase alpha subunit	0.0019	0.0204	0.0204
Entamoeba histolytica	hypothetical protein	0.0035	0.0575	0.0666
Loa Loa (eye worm)	hypothetical protein	0.0255	0.5637	0.5637
Entamoeba histolytica	hypothetical protein	0.0035	0.0575	0.0666
Echinococcus multilocularis	regulator of G protein signaling 7	0.0019	0.0201	0.0201
Echinococcus granulosus	axis inhibition protein axin	0.0019	0.0201	0.0201
Schistosoma mansoni	regulator of G protein signaling 17 19 20 (rgs17 19 20)	0.0019	0.0201	0.0201
Schistosoma mansoni	regulator of G protein signaling	0.0019	0.0201	0.0201
Schistosoma mansoni	serine/threonine protein kinase	0.0019	0.0201	0.0201
Trypanosoma brucei	unspecified product	0.0019	0.0204	0.0134
Trypanosoma cruzi	6-phosphofructo-2-kinase/fructose-2,6-biphosphatase, putative	0.019	0.4138	0.4016
Brugia malayi	hypothetical protein	0.0019	0.0201	0.0829
Echinococcus multilocularis	Regulator of G protein signaling 20	0.0019	0.0201	0.0201
Schistosoma mansoni	regulator of G protein signaling	0.0019	0.0201	0.0201
Echinococcus multilocularis	regulator of G protein signaling 7	0.0019	0.0201	0.0201
Loa Loa (eye worm)	AGC/GRK/GRK protein kinase	0.0019	0.0201	0.0201
Schistosoma mansoni	hypothetical protein	0.0164	0.3541	0.3541
Loa Loa (eye worm)	hypothetical protein	0.0019	0.0201	0.0201
Brugia malayi	hypothetical protein	0.0035	0.0575	0.2367
Giardia lamblia	Hypothetical protein	0.0262	0.581	1
Echinococcus multilocularis	regulator of G protein signaling 3	0.0019	0.0201	0.0201
Schistosoma mansoni	DNA polymerase eta	0.0019	0.0204	0.0204
Trypanosoma brucei	DNA polymerase IV, putative	0.0019	0.0204	0.0134
Loa Loa (eye worm)	MH2 domain-containing protein	0.0115	0.2428	0.2428
Brugia malayi	Probable G protein-coupled receptor kinase F19C6.1, putative	0.0019	0.0201	0.0829
Brugia malayi	regulator of G-protein signaling egl-10	0.0019	0.0201	0.0829
Schistosoma mansoni	hypothetical protein	0.0164	0.3541	0.3541
Schistosoma mansoni	z-protein (S1r protein)	0.0019	0.0201	0.0201
Schistosoma mansoni	regulator of G protein signaling	0.0019	0.0201	0.0201
Loa Loa (eye worm)	hypothetical protein	0.0019	0.0201	0.0201
Brugia malayi	ImpB/MucB/SamB family protein	0.0019	0.0204	0.0841
Onchocerca volvulus		0.0445	1	1
Echinococcus multilocularis	A kinase anchor protein 10, mitochondrial	0.0019	0.0201	0.0201
Loa Loa (eye worm)	ImpB/MucB/SamB family protein	0.0019	0.0204	0.0204
Echinococcus multilocularis	Basic leucine zipper (bZIP) transcription	0.0035	0.0575	0.0575
Loa Loa (eye worm)	hypothetical protein	0.0019	0.0204	0.0204
Entamoeba histolytica	deoxycytidyl transferase, putative	0.0019	0.0204	0.0005
Loa Loa (eye worm)	hypothetical protein	0.0445	1	1
Trypanosoma brucei	DNA polymerase kappa, putative	0.0019	0.0204	0.0134
Trypanosoma brucei	DNA polymerase kappa, putative	0.0019	0.0204	0.0134
Leishmania major	6-phosphofructo-2-kinase/fructose-2,6-biphosphatase, putative	0.0437	0.9827	0.9824
Echinococcus granulosus	geminin	0.0164	0.3541	0.3541
Entamoeba histolytica	phosphoglycerate mutase family protein, putative	0.0262	0.581	1
Schistosoma mansoni	regulator of G protein signaling	0.0019	0.0201	0.0201
Echinococcus multilocularis	dna polymerase eta	0.0019	0.0204	0.0204
Mycobacterium tuberculosis	Conserved hypothetical protein	0.0019	0.0204	0.5
Trypanosoma cruzi	6-phosphofructo-2-kinase 1	0.0437	0.9827	0.9824
Echinococcus granulosus	beta-adrenergic receptor kinase	0.0019	0.0201	0.0201
Brugia malayi	hypothetical protein	0.0019	0.0201	0.0829
Schistosoma mansoni	regulator of G protein signaling 17 19 20 (rgs17 19 20)	0.0019	0.0201	0.0201
Trypanosoma brucei	DNA polymerase eta, putative	0.0019	0.0204	0.0134
Leishmania major	6-phosphofructo-2-kinase/fructose-2,6-biphosphatase-1-like protein	0.019	0.4138	0.4016
Schistosoma mansoni	serine/threonine protein kinase	0.0019	0.0201	0.0201
Trypanosoma brucei	6-phosphofructo-2-kinase/fructose-2,6-biphosphatase, putative	0.0445	1	1
Brugia malayi	MH2 domain containing protein	0.0115	0.2428	1
Brugia malayi	PXA domain containing protein	0.0019	0.0201	0.0829
Loa Loa (eye worm)	transcription factor SMAD2	0.0115	0.2428	0.2428
Brugia malayi	PXA domain containing protein	0.0019	0.0201	0.0829
Trypanosoma brucei	6-phosphofructo-2-kinase 2	0.0437	0.9827	0.9826
Loa Loa (eye worm)	hypothetical protein	0.0019	0.0201	0.0201
Trypanosoma brucei	6-phosphofructo-2-kinase/fructose-2,6-biphosphatase, putative	0.019	0.4138	0.4096
Loa Loa (eye worm)	hypothetical protein	0.0019	0.0201	0.0201
Trypanosoma brucei	DNA polymerase kappa, putative	0.0019	0.0204	0.0134
Entamoeba histolytica	hypothetical protein	0.0035	0.0575	0.0666
Entamoeba histolytica	hypothetical protein	0.0035	0.0575	0.0666
Loa Loa (eye worm)	G protein signaling regulator EGL-10	0.0019	0.0201	0.0201
Brugia malayi	A-kinase anchor protein 10, precursor	0.0019	0.0201	0.0829
Echinococcus granulosus	regulator of G protein signaling 7	0.0019	0.0201	0.0201
Echinococcus granulosus	terminal deoxycytidyl transferase rev1	0.0019	0.0204	0.0204
Echinococcus multilocularis	expressed protein	0.0361	0.8069	0.8069
Echinococcus granulosus	axis inhibition protein axin	0.0019	0.0201	0.0201
Schistosoma mansoni	6-phosphofructokinase	0.0445	1	1
Loa Loa (eye worm)	RGS-3 protein	0.0019	0.0201	0.0201
Trypanosoma cruzi	6-phosphofructo-2-kinase/fructose-2,6-biphosphatase, putative	0.0445	1	1
Trypanosoma cruzi	6-phosphofructo-2-kinase/fructose-2,6-biphosphatase, putative	0.0445	1	1
Schistosoma mansoni	axis inhibition protein axin	0.0019	0.0201	0.0201
Echinococcus granulosus	Regulator of G protein signaling 20	0.0019	0.0201	0.0201
Echinococcus multilocularis	6 phosphofructo 2 kinase:fructose 2	0.0445	1	1
Echinococcus multilocularis	regulator of G protein signaling	0.0019	0.0201	0.0201
Brugia malayi	Regulator of G protein signaling domain containing protein	0.0019	0.0201	0.0829
Trypanosoma brucei	DNA polymerase IV, putative	0.0019	0.0204	0.0134
Loa Loa (eye worm)	PXA domain-containing protein	0.0019	0.0201	0.0201
Echinococcus multilocularis	terminal deoxycytidyl transferase rev1	0.0019	0.0204	0.0204
Echinococcus multilocularis	axis inhibition protein axin	0.0019	0.0201	0.0201
Schistosoma mansoni	hypothetical protein	0.0035	0.0575	0.0575
Echinococcus granulosus	regulator of G protein signaling 7	0.0019	0.0201	0.0201
Schistosoma mansoni	axis inhibition protein axin	0.0019	0.0201	0.0201

Activities

Activity type	Activity value	Assay description	Source	Reference
Inhibition (binding)	= 90 %	Inhibition of androgen receptor in human LNCAP cells assessed as decrease in TMPRSS2 mRNA expression at 5 uM by RT-PCR analysis relative to control	ChEMBL.	24044500
Inhibition (binding)	= 90 %	Inhibition of androgen receptor in human LNCAP cells assessed as decrease in PSA mRNA expression at 5 uM by RT-PCR analysis relative to control	ChEMBL.	24044500

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: CHEMBL2440255

Bibliographic References

1 literature reference was collected for this gene.

If you have references for this compound, please enter them in a user comment (below) or Contact us.

Detailed information for compound 1791033