TDR Targets

Basic information

Technical information

TDR Targets ID: 347409
Name: (2R)-2-[[4-(2-hydroxyphenyl)phenyl]sulfonylam ino]-3-methylbutanoic acid
MW: 349.401 | Formula: C17H19NO5S
H donors: 3 H acceptors: 5 LogP: 3.12 Rotable bonds: 6
Rule of 5 violations (Lipinski): 1
SMILES: CC([C@H](C(=O)O)NS(=O)(=O)c1ccc(cc1)c1ccccc1O)C
InChi: 1S/C17H19NO5S/c1-11(2)16(17(20)21)18-24(22,23)13-9-7-12(8-10-13)14-5-3-4-6-15(14)19/h3-11,16,18-19H,1-2H3,(H,20,21)/t16-/m1/s1
InChiKey: CNOWBJGWCQRENI-MRXNPFEDSA-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

(2R)-2-[[4-(2-hydroxyphenyl)phenyl]sulfonylamino]-3-methyl-butanoic acid
(2R)-2-[[4-(2-hydroxyphenyl)phenyl]sulfonylamino]-3-methyl-butyric acid

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
Brugia malayi	MAP kinase sur-1	0.0053	0.8067	0.8067
Brugia malayi	hypothetical protein	0.0014	0.0286	0.0286
Echinococcus multilocularis	FTZ F1 nuclear receptor protein	0.0026	0.2668	0.2668
Loa Loa (eye worm)	nuclear hormone receptor family member nhr-31	0.0026	0.2668	0.2668
Trypanosoma cruzi	kinetoplastid kinetochore protein 10, putative	0.0063	1	1
Brugia malayi	steroid hormone receptor	0.0026	0.2668	0.2668
Loa Loa (eye worm)	hypothetical protein	0.0026	0.2668	0.2668
Brugia malayi	Nuclear hormone receptor family member nhr-1	0.0026	0.2668	0.2668
Loa Loa (eye worm)	hypothetical protein	0.0014	0.0286	0.0286
Echinococcus granulosus	COUP TF:Svp nuclear hormone receptor	0.0026	0.2668	0.2668
Mycobacterium ulcerans	cytochrome P450 185A4 Cyp185A4	0.002	0.1556	0.5
Echinococcus multilocularis		0.0062	0.9813	0.9813
Trypanosoma brucei	ubiquitin carboxyl-terminal hydrolase, putative	0.0038	0.5133	0.4236
Loa Loa (eye worm)	hypothetical protein	0.0014	0.0286	0.0286
Trypanosoma brucei	protein kinase, putative	0.0053	0.8067	0.771
Leishmania major	mitogen activated protein kinase 4, putative;with=GeneDB:LmxM19.1440	0.0053	0.8067	0.771
Schistosoma mansoni	coup transcription factor	0.0026	0.2668	0.2668
Plasmodium vivax	serine/threonine kinase-1, putative	0.0063	1	0.5
Loa Loa (eye worm)	hypothetical protein	0.0014	0.0286	0.0286
Echinococcus multilocularis	ubiquitin specific protease 41	0.0038	0.5133	0.5133
Brugia malayi	nuclear hormone receptor	0.0026	0.2668	0.2668
Echinococcus multilocularis	nuclear receptor 2DBD gamma	0.0026	0.2668	0.2668
Schistosoma mansoni	nuclear receptor 2DBD-gamma	0.0026	0.2668	0.2668
Toxoplasma gondii	cell-cycle-associated protein kinase CLK, putative	0.0063	1	1
Trypanosoma brucei	kinetoplastid kinetochore protein 19	0.0063	1	1
Onchocerca volvulus	Bile acid receptor homolog	0.0026	0.2668	1
Loa Loa (eye worm)	CMGC/MAPK/ERK1 protein kinase	0.0053	0.8067	0.8067
Echinococcus granulosus	hypothetical protein	0.0062	0.9813	0.9813
Schistosoma mansoni	Tr4/Tr2 (homologue)	0.0026	0.2668	0.2668
Brugia malayi	Cytochrome P450 family protein	0.0031	0.3653	0.3653
Echinococcus granulosus	nuclear receptor subfamily 1 group D	0.0014	0.0286	0.0286
Schistosoma mansoni	FTZ-F1 nuclear receptor-like protein	0.0026	0.2668	0.2668
Plasmodium falciparum	protein serine/threonine kinase-1	0.0063	1	0.5
Brugia malayi	Nuclear hormone receptor family member nhr-25	0.0026	0.2668	0.2668
Echinococcus granulosus	nuclear receptor 2DBD gamma	0.0026	0.2668	0.2668
Onchocerca volvulus	Steroid hormone receptor family member cnr14 homolog	0.0026	0.2668	1
Loa Loa (eye worm)	CMGC/CLK protein kinase	0.0063	1	1
Echinococcus granulosus	nuclear receptor 2DBD gamma	0.0026	0.2668	0.2668
Leishmania major	ubiquitin hydrolase, putative,cysteine peptidase, Clan CA, family C19, putative	0.0038	0.5133	0.4236
Schistosoma mansoni	retinoid-x-receptor (RXR)	0.0014	0.0286	0.0286
Echinococcus granulosus	FTZ F1 nuclear receptor protein	0.0026	0.2668	0.2668
Trichomonas vaginalis	CMGC family protein kinase	0.0053	0.8067	0.6028
Loa Loa (eye worm)	nuclear hormone receptor family member nhr-49	0.0026	0.2668	0.2668
Brugia malayi	hypothetical protein	0.0014	0.0286	0.0286
Echinococcus multilocularis	Nuclear hormone receptor family member nhr 41	0.0026	0.2668	0.2668
Echinococcus granulosus	hepatocyte nuclear factor 4 alpha	0.0026	0.2668	0.2668
Schistosoma mansoni	serine/threonine protein kinase	0.0053	0.8067	0.8067
Brugia malayi	Ligand-binding domain of nuclear hormone receptor family protein	0.0026	0.2668	0.2668
Trypanosoma cruzi	kinetoplastid kinetochore protein 19, putative	0.0063	1	1
Echinococcus granulosus	retinoic acid receptor rxr beta a	0.0026	0.2668	0.2668
Schistosoma mansoni	ubiquitin-specific peptidase 8 (C19 family)	0.0038	0.5133	0.5133
Brugia malayi	Steroid receptor seven-up type 2	0.0026	0.2668	0.2668
Echinococcus multilocularis	dual specificity protein kinase clk2	0.0063	1	1
Trypanosoma cruzi	ubiquitin carboxyl-terminal hydrolase, putative	0.0038	0.5133	0.4236
Brugia malayi	ecdysteroid receptor	0.0026	0.2668	0.2668
Brugia malayi	Nuclear hormone receptor family member nhr-3	0.0026	0.2668	0.2668
Loa Loa (eye worm)	hypothetical protein	0.0038	0.5133	0.5133
Schistosoma mansoni	retinoid-x-receptor (RXR)	0.0026	0.2668	0.2668
Trypanosoma cruzi	mitogen activated protein kinase 2, putative	0.0053	0.8067	0.771
Brugia malayi	nuclear receptor NHR-88	0.0026	0.2668	0.2668
Loa Loa (eye worm)	hypothetical protein	0.0026	0.2668	0.2668
Echinococcus granulosus	FTZ F1 alpha	0.0026	0.2668	0.2668
Loa Loa (eye worm)	hypothetical protein	0.0026	0.2668	0.2668
Leishmania major	protein kinase, putative	0.0063	1	1
Echinococcus granulosus	dual specificity protein kinase clk2	0.0063	1	1
Loa Loa (eye worm)	nuclear hormone receptor family member nhr-40	0.0026	0.2668	0.2668
Brugia malayi	Ligand-binding domain of nuclear hormone receptor family protein	0.0026	0.2668	0.2668
Schistosoma mansoni	serine/threonine protein kinase	0.0063	1	1
Loa Loa (eye worm)	CYP4Cod1	0.002	0.1556	0.1556
Brugia malayi	Nuclear hormone receptor family member nhr-31	0.0026	0.2668	0.2668
Echinococcus multilocularis	COUP TF:Svp nuclear hormone receptor	0.0026	0.2668	0.2668
Onchocerca volvulus		0.0026	0.2668	1
Schistosoma mansoni	photoreceptor-specific nuclear receptor related	0.0026	0.2668	0.2668
Echinococcus granulosus	ubiquitin carboxyl terminal hydrolase 8	0.0038	0.5133	0.5133
Brugia malayi	Cytochrome P450 family protein	0.002	0.1556	0.1556
Giardia lamblia	Kinase, CMGC CLK	0.0063	1	1
Trichomonas vaginalis	CMGC family protein kinase	0.0053	0.8067	0.6028
Echinococcus multilocularis	hepatocyte nuclear factor 4 alpha	0.0026	0.2668	0.2668
Trichomonas vaginalis	CMGC family protein kinase	0.0053	0.8067	0.6028
Loa Loa (eye worm)	hypothetical protein	0.0026	0.2668	0.2668
Schistosoma mansoni	nuclear hormone receptor	0.0026	0.2668	0.2668
Echinococcus granulosus	mitogen activated protein kinase	0.0053	0.8067	0.8067
Loa Loa (eye worm)	hypothetical protein	0.0026	0.2668	0.2668
Brugia malayi	Nuclear hormone receptor-like 1	0.0026	0.2668	0.2668
Leishmania major	mitogen activated protein kinase, putative,map kinase, putative	0.0053	0.8067	0.771
Brugia malayi	Nuclear hormone receptor-like 1	0.0014	0.0286	0.0286
Echinococcus multilocularis	nuclear receptor 2DBD gamma	0.0026	0.2668	0.2668
Trypanosoma cruzi	ubiquitin carboxyl-terminal hydrolase, putative	0.0038	0.5133	0.4236
Echinococcus multilocularis	FTZ F1 alpha	0.0026	0.2668	0.2668
Loa Loa (eye worm)	hypothetical protein	0.0062	0.9813	0.9813
Schistosoma mansoni	nuclear hormone receptor nor-1/nor-2	0.0026	0.2668	0.2668
Brugia malayi	Nuclear hormone receptor family member nhr-19	0.0026	0.2668	0.2668
Schistosoma mansoni	serine/threonine protein kinase	0.0063	1	1
Giardia lamblia	Kinase, CMGC MAPK	0.0053	0.8067	0.6028
Loa Loa (eye worm)	nuclear hormone receptor-like 1	0.0014	0.0286	0.0286
Brugia malayi	Cytochrome P450 family protein	0.002	0.1556	0.1556
Schistosoma mansoni	thyroid hormone receptor	0.0026	0.2668	0.2668
Loa Loa (eye worm)	hypothetical protein	0.0026	0.2668	0.2668
Brugia malayi	nuclear receptor RXR	0.0014	0.0286	0.0286
Schistosoma mansoni	retinoic acid receptor RXR	0.0026	0.2668	0.2668
Echinococcus multilocularis	ubiquitin carboxyl terminal hydrolase 8	0.0038	0.5133	0.5133
Brugia malayi	Nuclear hormone receptor family member nhr-25	0.0026	0.2668	0.2668
Echinococcus multilocularis	mitogen activated protein kinase 3	0.0053	0.8067	0.8067
Brugia malayi	Nuclear hormone receptor family member nhr-14	0.0026	0.2668	0.2668
Echinococcus multilocularis	Peptidase C19, ubiquitin carboxyl terminal hydrolase 2	0.0038	0.5133	0.5133
Echinococcus multilocularis	nuclear receptor subfamily 1 group D	0.0014	0.0286	0.0286
Trichomonas vaginalis	CMGC family protein kinase	0.0063	1	1
Echinococcus multilocularis	ecdysone induced protein 78C	0.0026	0.2668	0.2668
Brugia malayi	Nuclear hormone receptor-like 1	0.0014	0.0286	0.0286
Brugia malayi	Nuclear hormone receptor family member nhr-40	0.0026	0.2668	0.2668
Entamoeba histolytica	ubiquitin carboxyl-terminal hydrolase domain containing protein	0.0038	0.5133	0.5
Schistosoma mansoni	ecdysone-induced protein 78c (dr-78)	0.0014	0.0286	0.0286
Trypanosoma cruzi	kinetoplastid kinetochore protein 19, putative	0.0063	1	1
Brugia malayi	Nuclear hormone receptor family member nhr-41	0.0026	0.2668	0.2668
Echinococcus multilocularis	mitogen activated protein kinase	0.0053	0.8067	0.8067
Schistosoma mansoni	thyroid hormone receptor	0.0026	0.2668	0.2668
Echinococcus granulosus	Nuclear hormone receptor family member nhr 41	0.0026	0.2668	0.2668
Loa Loa (eye worm)	steroid hormone receptor	0.0026	0.2668	0.2668
Echinococcus multilocularis	thyroid hormone receptor alpha	0.0026	0.2668	0.2668
Echinococcus granulosus	ubiquitin specific protease 41	0.0038	0.5133	0.5133
Onchocerca volvulus	Protein ultraspiracle homolog	0.0026	0.2668	1
Trichomonas vaginalis	CMGC family protein kinase	0.0053	0.8067	0.6028
Brugia malayi	Nuclear hormone receptor family member nhr-49	0.0026	0.2668	0.2668
Loa Loa (eye worm)	cytochrome P450 family protein	0.002	0.1556	0.1556
Brugia malayi	Ubiquitin carboxyl-terminal hydrolase family protein	0.0038	0.5133	0.5133
Schistosoma mansoni	steroid hormone receptor ad4bp	0.0026	0.2668	0.2668
Loa Loa (eye worm)	nuclear hormone receptor family member nhr-1	0.0026	0.2668	0.2668
Schistosoma mansoni	RAR-like nuclear receptor	0.0026	0.2668	0.2668
Trypanosoma cruzi	mitogen-activated protein kinase 11, putative	0.0053	0.8067	0.771
Loa Loa (eye worm)	hypothetical protein	0.0014	0.0286	0.0286
Loa Loa (eye worm)	cytochrome P450 family protein	0.0031	0.3653	0.3653
Loa Loa (eye worm)	nuclear hormone receptor family member nhr-14	0.0026	0.2668	0.2668
Loa Loa (eye worm)	cytochrome P450 family protein	0.002	0.1556	0.1556
Brugia malayi	Nuclear hormone receptor family member nhr-19	0.0026	0.2668	0.2668
Trypanosoma cruzi	mitogen-activated protein kinase 11, putative	0.0053	0.8067	0.771
Trypanosoma brucei	kinetoplastid kinetochore protein 10	0.0063	1	1
Loa Loa (eye worm)	hypothetical protein	0.0014	0.0286	0.0286
Brugia malayi	photoreceptor-specific nuclear receptor	0.0026	0.2668	0.2668
Schistosoma mansoni	ubiquitin-specific peptidase 2 (C19 family)	0.0038	0.5133	0.5133
Echinococcus granulosus	Peptidase C19 ubiquitin carboxyl terminal hydrolase 2	0.0038	0.5133	0.5133
Leishmania major	protein kinase, putative	0.0063	1	1
Trypanosoma cruzi	kinetoplastid kinetochore protein 10, putative	0.0063	1	1
Loa Loa (eye worm)	nuclear Hormone Receptor family member	0.0026	0.2668	0.2668
Loa Loa (eye worm)	hypothetical protein	0.0026	0.2668	0.2668
Loa Loa (eye worm)	hypothetical protein	0.0026	0.2668	0.2668
Trypanosoma brucei	mitogen activated protein kinase 4, putative	0.0053	0.8067	0.771
Echinococcus granulosus	mitogen activated protein kinase 3	0.0053	0.8067	0.8067
Echinococcus granulosus	ecdysone induced protein 78C	0.0026	0.2668	0.2668
Trypanosoma cruzi	mitogen activated protein kinase 4, putative	0.0053	0.8067	0.771
Loa Loa (eye worm)	nuclear hormone receptor family member nhr-41	0.0026	0.2668	0.2668

Activities

Activity type	Activity value	Assay description	Source	Reference
IC50 (binding)	= 20 uM	Inhibitory activity against human Aggrecanase 1	ChEMBL.	16275085
IC50 (binding)	= 20 uM	Inhibitory activity against human Aggrecanase 1	ChEMBL.	16275085

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

PubChem: 24901476

Bibliographic References

1 literature reference was collected for this gene.

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Detailed information for compound 347409