TDR Targets

Basic information

Technical information

Name: Unnamed compound
MW: 339.385 | Formula: C20H21NO4
H donors: 3 H acceptors: 4 LogP: 2.97 Rotable bonds: 4
Rule of 5 violations (Lipinski): 1
SMILES: Oc1ccc(c(c1)O)C(=O)/C=C/N1CCC(CC1)(O)c1ccccc1
InChi: 1S/C20H21NO4/c22-16-6-7-17(19(24)14-16)18(23)8-11-21-12-9-20(25,10-13-21)15-4-2-1-3-5-15/h1-8,11,14,22,24-25H,9-10,12-13H2/b11-8+
InChiKey: GELISJMJNTULQZ-DHZHZOJOSA-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 multilocularis	ATP dependent DNA helicase Q1	0.0011	0.0297	0.0459
Trypanosoma cruzi	ATP-dependent DEAD/H DNA helicase recQ, putative	0.0014	0.0426	0.2942
Trichomonas vaginalis	D-aminoacylase, putative	0.0039	0.1448	1
Echinococcus granulosus	histone lysine N methyltransferase MLL3	0.0008	0.0179	0.0276
Trichomonas vaginalis	D-aminoacylase, putative	0.0039	0.1448	1
Mycobacterium tuberculosis	Probable conserved lipoprotein	0.0039	0.1448	0.1448
Brugia malayi	Bloom's syndrome protein homolog	0.0026	0.0919	0.1419
Trypanosoma brucei	hypothetical protein, conserved	0.0039	0.1448	1
Echinococcus granulosus	ATP dependent DNA helicase Q5	0.0011	0.0297	0.0459
Echinococcus granulosus	muscleblind protein	0.016	0.6474	1
Echinococcus multilocularis	cpg binding protein	0.0033	0.1213	0.1874
Echinococcus granulosus	beta LACTamase domain containing family member	0.0039	0.1448	0.2236
Loa Loa (eye worm)	hypothetical protein	0.0129	0.5187	0.8013
Brugia malayi	Hypothetical 52.5 kDa protein ZK945.1 in chromosome II, putative	0.0039	0.1448	0.2236
Plasmodium vivax	ADP-dependent DNA helicase RecQ, putative	0.0017	0.0576	0.398
Toxoplasma gondii	histone lysine methyltransferase SET1	0.0059	0.2285	1
Loa Loa (eye worm)	hypothetical protein	0.0039	0.1448	0.2236
Schistosoma mansoni	cpg binding protein	0.0033	0.1213	0.4712
Trichomonas vaginalis	DNA helicase recq1, putative	0.0026	0.0919	0.6347
Trichomonas vaginalis	D-aminoacylase, putative	0.0039	0.1448	1
Schistosoma mansoni	myst-related protein	0.0004	0.0012	0.0045
Schistosoma mansoni	family S12 unassigned peptidase (S12 family)	0.0039	0.1448	0.5622
Plasmodium falciparum	ATP-dependent DNA helicase Q1	0.0011	0.0297	0.3671
Trichomonas vaginalis	conserved hypothetical protein	0.0007	0.0151	0.104
Trichomonas vaginalis	chromodomain helicase DNA binding protein, putative	0.0007	0.0151	0.104
Mycobacterium tuberculosis	Conserved protein	0.0039	0.1448	0.1448
Trichomonas vaginalis	chromodomain helicase DNA binding protein, putative	0.0007	0.0151	0.104
Brugia malayi	beta-lactamase	0.0039	0.1448	0.2236
Mycobacterium tuberculosis	Probable hydrolase	0.0039	0.1448	0.1448
Loa Loa (eye worm)	hypothetical protein	0.0039	0.1448	0.2236
Mycobacterium leprae	Probable lipase LipE	0.0039	0.1448	1
Brugia malayi	ATP-dependent DNA helicase, RecQ family protein	0.0011	0.0297	0.0459
Schistosoma mansoni	mixed-lineage leukemia protein mll	0.0066	0.2575	1
Treponema pallidum	ATP-dependent DNA helicase	0.0005	0.0083	0.5
Mycobacterium ulcerans	lipase LipD	0.0039	0.1448	1
Loa Loa (eye worm)	beta-lactamase	0.0039	0.1448	0.2236
Leishmania major	hypothetical protein, conserved	0.0039	0.1448	1
Loa Loa (eye worm)	hypothetical protein	0.016	0.6474	1
Toxoplasma gondii	ATP-dependent DNA helicase, RecQ family protein	0.0011	0.0297	0.1302
Echinococcus granulosus	histone lysine N methyltransferase MLL3	0.001	0.0257	0.0396
Trypanosoma cruzi	hypothetical protein, conserved	0.0039	0.1448	1
Echinococcus multilocularis	bloom syndrome protein	0.0026	0.0919	0.1419
Echinococcus multilocularis	histone lysine N methyltransferase MLL3	0.0008	0.0179	0.0276
Loa Loa (eye worm)	ATP-dependent DNA helicase	0.0011	0.0297	0.0459
Trichomonas vaginalis	DNA helicase recq, putative	0.0014	0.0426	0.2942
Echinococcus granulosus	bloom syndrome protein	0.0026	0.0919	0.1419
Mycobacterium leprae	conserved hypothetical protein	0.0039	0.1448	1
Mycobacterium tuberculosis	Probable lipase LipE	0.0039	0.1448	0.1448
Plasmodium vivax	hypothetical protein, conserved	0.0039	0.1448	1
Schistosoma mansoni	mixed-lineage leukemia protein mll	0.0008	0.0179	0.0693
Brugia malayi	ATP-dependent DNA helicase, RecQ family protein	0.0011	0.0297	0.0459
Echinococcus multilocularis	histone lysine N methyltransferase MLL3	0.001	0.0257	0.0396
Loa Loa (eye worm)	hypothetical protein	0.0039	0.1448	0.2236
Mycobacterium tuberculosis	Probable esterase/lipase LipP	0.0039	0.1448	0.1448
Trypanosoma cruzi	ATP-dependent DEAD/H DNA helicase recQ, putative	0.0005	0.0083	0.0575
Trypanosoma brucei	ATP-dependent DEAD/H DNA helicase recQ, putative	0.0014	0.0426	0.2942
Loa Loa (eye worm)	CXXC zinc finger family protein	0.0031	0.114	0.1762
Echinococcus granulosus	ATP dependent DNA helicase Q1	0.0011	0.0297	0.0459
Trichomonas vaginalis	chromodomain helicase DNA binding protein, putative	0.0007	0.0151	0.104
Entamoeba histolytica	recQ family helicase, putative	0.0014	0.0426	1
Echinococcus granulosus	mixed lineage leukemia protein mll	0.0008	0.0179	0.0276
Entamoeba histolytica	recQ family DNA helicase	0.0005	0.0083	0.1955
Trichomonas vaginalis	helicase, putative	0.0007	0.0151	0.104
Loa Loa (eye worm)	beta-LACTamase domain containing family member	0.0039	0.1448	0.2236
Brugia malayi	F/Y-rich N-terminus family protein	0.0009	0.0251	0.0388
Trichomonas vaginalis	conserved hypothetical protein	0.0007	0.0151	0.104
Giardia lamblia	Sgs1 DNA helicase, putative	0.0011	0.0297	0.5
Echinococcus multilocularis	muscleblind protein 1	0.016	0.6474	1
Toxoplasma gondii	ATP-dependent DNA helicase, RecQ family protein	0.0017	0.0568	0.2484
Echinococcus multilocularis	ATP dependent DNA helicase Q5	0.0011	0.0297	0.0459
Mycobacterium tuberculosis	Possible conserved lipoprotein LpqK	0.0039	0.1448	0.1448
Brugia malayi	beta-lactamase family protein	0.0039	0.1448	0.2236
Trichomonas vaginalis	penicillin-binding protein, putative	0.0039	0.1448	1
Trichomonas vaginalis	conserved hypothetical protein	0.0007	0.0151	0.104
Leishmania major	ATP-dependent DEAD/H DNA helicase recQ, putative	0.0014	0.0426	0.2942
Mycobacterium ulcerans	beta-lactamase	0.0039	0.1448	1
Onchocerca volvulus		0.0039	0.1448	1
Loa Loa (eye worm)	hypothetical protein	0.0039	0.1448	0.2236
Echinococcus multilocularis	beta LACTamase domain containing family member	0.0039	0.1448	0.2236
Loa Loa (eye worm)	RecQ helicase	0.0026	0.0919	0.1419
Trichomonas vaginalis	DNA helicase recq, putative	0.0026	0.0919	0.6347
Schistosoma mansoni	myst-related protein	0.0004	0.0012	0.0045
Loa Loa (eye worm)	hypothetical protein	0.016	0.6474	1
Loa Loa (eye worm)	histone methyltransferase	0.001	0.0257	0.0396
Trichomonas vaginalis	conserved hypothetical protein	0.0007	0.0151	0.104
Brugia malayi	beta-lactamase family protein	0.0039	0.1448	0.2236
Mycobacterium tuberculosis	Probable lipase LipD	0.0039	0.1448	0.1448
Toxoplasma gondii	ABC1 family protein	0.0039	0.1448	0.6335
Mycobacterium ulcerans	fusion of enoyl-CoA hydratase, EchA21 and lipase, LipE	0.0039	0.1448	1
Toxoplasma gondii	ATP-dependent DNA helicase, RecQ family protein	0.0005	0.0083	0.0364
Plasmodium vivax	ATP-dependent DNA helicase Q1, putative	0.0005	0.0075	0.0517
Loa Loa (eye worm)	hypothetical protein	0.0005	0.0083	0.0129
Trypanosoma cruzi	ATP-dependent DEAD/H DNA helicase recQ, putative	0.0005	0.0083	0.0575
Echinococcus granulosus	cpg binding protein	0.0033	0.1213	0.1874
Loa Loa (eye worm)	hypothetical protein	0.0011	0.0297	0.0459
Schistosoma mansoni	cpg binding protein	0.0031	0.114	0.4428
Schistosoma mansoni	DNA helicase recq1	0.0011	0.0297	0.1155
Schistosoma mansoni	DNA helicase recq5	0.0011	0.0297	0.1155
Trichomonas vaginalis	penicillin-binding protein, putative	0.0039	0.1448	1
Echinococcus multilocularis	muscleblind protein	0.016	0.6474	1
Onchocerca volvulus		0.0039	0.1448	1
Trichomonas vaginalis	esterase, putative	0.0039	0.1448	1
Mycobacterium tuberculosis	Probable esterase LipL	0.0039	0.1448	0.1448
Schistosoma mansoni	blooms syndrome DNA helicase	0.0005	0.0083	0.0323
Trypanosoma cruzi	hypothetical protein, conserved	0.0039	0.1448	1
Trichomonas vaginalis	chromodomain-helicase-DNA-binding protein, putative	0.0007	0.0151	0.104
Brugia malayi	CXXC zinc finger family protein	0.0031	0.114	0.1762
Schistosoma mansoni	cpg binding protein	0.0033	0.1213	0.4712
Schistosoma mansoni	blooms syndrome DNA helicase	0.002	0.0696	0.2703
Trichomonas vaginalis	hypothetical protein	0.0004	0.0016	0.0112
Trichomonas vaginalis	conserved hypothetical protein	0.0004	0.0016	0.0112
Schistosoma mansoni	mixed-lineage leukemia protein mll	0.0004	0.0044	0.0171
Trichomonas vaginalis	chromodomain helicase DNA binding protein, putative	0.0007	0.0151	0.104
Trichomonas vaginalis	chromodomain-helicase-DNA-binding protein, putative	0.0007	0.0151	0.104
Loa Loa (eye worm)	hypothetical protein	0.0039	0.1448	0.2236
Trichomonas vaginalis	conserved hypothetical protein	0.0007	0.0151	0.104
Echinococcus multilocularis	mixed lineage leukemia protein mll	0.0008	0.0179	0.0276
Mycobacterium tuberculosis	Conserved protein	0.0039	0.1448	0.1448
Plasmodium falciparum	ADP-dependent DNA helicase RecQ	0.0023	0.079	1
Toxoplasma gondii	ATP-dependent DNA helicase, RecQ family protein	0.0011	0.0297	0.1302
Mycobacterium ulcerans	hypothetical protein	0.0039	0.1448	1
Loa Loa (eye worm)	hypothetical protein	0.0039	0.1448	0.2236
Entamoeba histolytica	recQ family helicase, putative	0.0005	0.0075	0.1756
Trichomonas vaginalis	conserved hypothetical protein	0.0007	0.0151	0.104
Brugia malayi	Muscleblind-like protein	0.016	0.6474	1
Trichomonas vaginalis	chromodomain helicase DNA binding protein, putative	0.0007	0.0151	0.104
Mycobacterium tuberculosis	Conserved protein	0.0039	0.1448	0.1448
Trichomonas vaginalis	conserved hypothetical protein	0.0007	0.0151	0.104
Trichomonas vaginalis	chromodomain helicase DNA binding protein, putative	0.0007	0.0151	0.104
Trichomonas vaginalis	chromodomain-helicase-DNA-binding protein, putative	0.0004	0.0016	0.0112
Onchocerca volvulus		0.0039	0.1448	1
Trichomonas vaginalis	conserved hypothetical protein	0.0007	0.0151	0.104
Trichomonas vaginalis	conserved hypothetical protein	0.0007	0.0151	0.104
Entamoeba histolytica	hypothetical protein	0.0004	0.0012	0.0272
Mycobacterium ulcerans	esterase/lipase LipP	0.0039	0.1448	1
Schistosoma mansoni	family S12 unassigned peptidase (S12 family)	0.0039	0.1448	0.5622

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: CHEMBL595961

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 1091974