TDR Targets

Basic information

Technical information

TDR Targets ID: 1429517
Name: [2-oxo-2-[(4-sulfamoylphenyl)amino]ethyl] 2-( 2-methylphenoxy)acetate
MW: 378.4 | Formula: C17H18N2O6S
H donors: 2 H acceptors: 4 LogP: 1.65 Rotable bonds: 9
Rule of 5 violations (Lipinski): 1
SMILES: O=C(Nc1ccc(cc1)S(=O)(=O)N)COC(=O)COc1ccccc1C
InChi: 1S/C17H18N2O6S/c1-12-4-2-3-5-15(12)24-11-17(21)25-10-16(20)19-13-6-8-14(9-7-13)26(18,22)23/h2-9H,10-11H2,1H3,(H,19,20)(H2,18,22,23)
InChiKey: XQQRLCDHMFFQRI-UHFFFAOYSA-N

Network

Hover on a compound node to display the structore

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

This is a work in progress. Come back soon to try this features!

Clustering layers

This is a work in progress. Come back soon to try this features!

Synonyms

2-(2-methylphenoxy)acetic acid [2-oxo-2-[(4-sulfamoylphenyl)amino]ethyl] ester
2-(2-methylphenoxy)acetic acid [2-keto-2-[(4-sulfamoylphenyl)amino]ethyl] ester
[2-oxo-2-[(4-sulfamoylphenyl)amino]ethyl] 2-(2-methylphenoxy)ethanoate
MLS000394181
SMR000248521
ZINC03430385
T5340588

Targets

Known targets for this compound

Species	Target name	Source	Bibliographic reference
Homo sapiens	GNAS complex locus	Starlite/ChEMBL	No references

Predicted pathogen targets for this compound

By orthology

Species	Potential target	Known druggable target/s	Ortholog Group
Echinococcus multilocularis	guanine nucleotide binding protein G(s) subunit	Get druggable targets OG5_131088	All targets in OG5_131088
Echinococcus granulosus	guanine nucleotide binding protein Gs subunit	Get druggable targets OG5_131088	All targets in OG5_131088
Schistosoma mansoni	Guanine nucleotide-binding protein G(s) subunit alpha (Adenylate cyclase-stimulating G alpha protein)	Get druggable targets OG5_131088	All targets in OG5_131088
Loa Loa (eye worm)	GTP-binding regulatory protein Gs alpha-S chain	Get druggable targets OG5_131088	All targets in OG5_131088
Echinococcus multilocularis	guanine nucleotide binding protein G(s) subunit	Get druggable targets OG5_131088	All targets in OG5_131088
Schistosoma japonicum	ko:K04632 guanine nucleotide binding protein (G protein), alpha stimulating, putative	Get druggable targets OG5_131088	All targets in OG5_131088
Echinococcus granulosus	guanine nucleotide binding protein Gs subunit	Get druggable targets OG5_131088	All targets in OG5_131088
Brugia malayi	GTP-binding regulatory protein Gs alpha-S chain, putative	Get druggable targets OG5_131088	All targets in OG5_131088
Schistosoma mansoni	Guanine nucleotide-binding protein G(s) subunit alpha (Adenylate cyclase-stimulating G alpha protein)	Get druggable targets OG5_131088	All targets in OG5_131088
Schistosoma mansoni	Guanine nucleotide-binding protein G(s) subunit alpha (Adenylate cyclase-stimulating G alpha protein)	Get druggable targets OG5_131088	All targets in OG5_131088

By sequence similarity to non orthologous known druggable targets

Species	Potential target	Known druggable target	Length	Alignment span	Identity
Schistosoma mansoni	GTP-binding protein alpha subunit gna	GNAS complex locus	394 aa	450 aa	28.7 %

Ranking Plot

Putative Targets List

Species	Potential target	Raw	Global	Species
Brugia malayi	Cyclic-nucleotide gated cation channel	0.0015	0.106	0.1167
Schistosoma mansoni	serine/threonine protein kinase	0.0011	0.0442	0.0442
Trichomonas vaginalis	voltage and ligand gated potassium channel, putative	0.0015	0.106	0.1258
Plasmodium vivax	rap guanine nucleotide exchange factor, putative	0.001	0.0402	0.5
Treponema pallidum	cyclic nucleotide binding protein	0.001	0.0402	0.5
Trypanosoma cruzi	cAMP binding protein, putative	0.001	0.0402	0.5
Echinococcus multilocularis	cyclic nucleotide gated cation channel alpha 3	0.0015	0.106	0.0758
Echinococcus multilocularis	hyperpolarization activated cyclic	0.0015	0.106	0.0758
Trichomonas vaginalis	voltage and ligand gated potassium channel, putative	0.0072	0.8423	1
Trypanosoma brucei	cyclic nucleotide-binding domain containing protein, putative	0.001	0.0402	1
Trypanosoma brucei	cAMP response protein 1, putative	0.001	0.0402	1
Schistosoma mansoni	Guanine nucleotide-binding protein G(s) subunit alpha (Adenylate cyclase-stimulating G alpha protein)	0.0055	0.6234	0.6234
Mycobacterium leprae	Conserved hypothetical protein	0.001	0.0402	1
Trypanosoma cruzi	cyclic nucleotide-binding domain containing protein, putative	0.001	0.0402	0.5
Trypanosoma cruzi	cAMP response protein 1	0.001	0.0402	0.5
Echinococcus granulosus	hyperpolarization activated cyclic	0.0015	0.106	0.1167
Mycobacterium ulcerans	transcriptional regulatory protein	0.001	0.0402	0.5
Chlamydia trachomatis	cAMP-dependent protein kinase regulatory subunit	0.001	0.0402	0.5
Schistosoma mansoni	camp-dependent protein kinase regulatory chain	0.001	0.0402	0.0402
Mycobacterium ulcerans	regulatory protein	0.001	0.0402	0.5
Brugia malayi	N-terminal motif family protein	0.001	0.0402	0.0443
Treponema pallidum	catabolite gene activator	0.001	0.0402	0.5
Toxoplasma gondii	protein kinase G AGC kinase family member PKG	0.0011	0.0442	1
Schistosoma mansoni	voltage-gated potassium channel	0.0015	0.106	0.106
Mycobacterium tuberculosis	Conserved hypothetical protein	0.001	0.0402	0.5
Echinococcus granulosus	voltage gated potassium channel	0.0022	0.1979	0.2179
Schistosoma mansoni	camp-dependent protein kinase type II regulatory subunit	0.001	0.0402	0.0402
Echinococcus granulosus	guanine nucleotide binding protein Gs subunit	0.0055	0.6234	0.6865
Treponema pallidum	catabolite gene activator (Crp)	0.001	0.0402	0.5
Loa Loa (eye worm)	cyclic-nucleotide gated cation channel	0.0015	0.106	0.0758
Echinococcus granulosus	patatin phospholipase domain containing protein	0.001	0.0402	0.0443
Leishmania major	protein kinase, putative	0.0011	0.0442	1
Echinococcus granulosus	potassium:sodium hyperpolarization activated	0.0015	0.106	0.1167
Loa Loa (eye worm)	AGC/PKG protein kinase	0.0011	0.0442	0.0046
Brugia malayi	GTP-binding regulatory protein Gs alpha-S chain, putative	0.0055	0.6234	0.6865
Mycobacterium tuberculosis	Probable glutamine-transport ATP-binding protein ABC transporter GlnQ	0.001	0.0402	0.5
Onchocerca volvulus		0.001	0.0402	0.5
Trypanosoma cruzi	regulatory subunit of protein kinase a-like protein, putative	0.001	0.0402	0.5
Trichomonas vaginalis	voltage and ligand gated potassium channel, putative	0.001	0.0402	0.0477
Trypanosoma brucei	cyclic nucleotide-binding domain containing protein, putative	0.001	0.0402	1
Schistosoma mansoni	voltage-gated potassium channel	0.0022	0.1979	0.1979
Mycobacterium tuberculosis	Conserved protein	0.001	0.0402	0.5
Schistosoma mansoni	Guanine nucleotide-binding protein G(s) subunit alpha (Adenylate cyclase-stimulating G alpha protein)	0.0055	0.6234	0.6234
Schistosoma mansoni	similar to Protein C20orf152 homolog	0.001	0.0402	0.0402
Loa Loa (eye worm)	hypothetical protein	0.0022	0.1979	0.1816
Schistosoma mansoni	60S ribosomal protein L21	0.0012	0.0658	0.0658
Mycobacterium ulcerans	hypothetical protein	0.001	0.0402	0.5
Schistosoma mansoni	camp-dependent rap1 guanine-nucleotide exchange factor	0.001	0.0402	0.0402
Mycobacterium ulcerans	transmembrane transport protein	0.001	0.0402	0.5
Echinococcus granulosus	potassium voltage gated channel subfamily H	0.0022	0.1979	0.2179
Echinococcus granulosus	cyclic nucleotide gated cation channel	0.0015	0.106	0.1167
Trypanosoma cruzi	regulatory subunit of protein kinase a-like protein, putative	0.001	0.0402	0.5
Schistosoma mansoni	cyclic-nucleotide-gated cation channel	0.0015	0.106	0.106
Schistosoma mansoni	camp-dependent protein kinase type I-beta regulatory subunit	0.001	0.0402	0.0402
Echinococcus granulosus	cAMP dependent protein kinase type I beta	0.001	0.0402	0.0443
Schistosoma mansoni	camp-dependent protein kinase type II-alpha regulatory subunit	0.001	0.0402	0.0402
Trypanosoma cruzi	cAMP response protein 1, putative	0.001	0.0402	0.5
Echinococcus multilocularis	guanine nucleotide binding protein G(s) subunit	0.0055	0.6234	0.6719
Trichomonas vaginalis	cAMP-dependent protein kinase type I-beta regulatory subunit, putative	0.001	0.0402	0.0477
Schistosoma mansoni	camp-dependent protein kinase type I-beta regulatory subunit	0.001	0.0402	0.0402
Echinococcus granulosus	cyclic nucleotide gated cation channel	0.0015	0.106	0.1167
Mycobacterium tuberculosis	Probable conserved transmembrane protein	0.001	0.0402	0.5
Echinococcus granulosus	guanine nucleotide binding protein Gs subunit	0.0055	0.6234	0.6865
Trichomonas vaginalis	cAMP-dependent protein kinase regulatory subunit, putative	0.001	0.0402	0.0477
Trypanosoma cruzi	protein kinase A regulatory subunit	0.001	0.0402	0.5
Schistosoma mansoni	neuropathy target esterase/swiss cheese-related protein	0.001	0.0402	0.0402
Trichomonas vaginalis	voltage and ligand gated potassium channel, putative	0.001	0.0402	0.0477
Schistosoma mansoni	neuropathy target esterase/swiss cheese-related protein	0.001	0.0402	0.0402
Mycobacterium tuberculosis	Probable transcriptional regulatory protein Cmr	0.001	0.0402	0.5
Schistosoma mansoni	voltage-gated potassium channel	0.0022	0.1979	0.1979
Trichomonas vaginalis	voltage and ligand gated potassium channel, putative	0.0015	0.106	0.1258
Entamoeba histolytica	protein kinase, putative	0.0038	0.4031	0.5
Echinococcus multilocularis	potassium voltage gated channel subfamily H	0.0022	0.1979	0.1816
Schistosoma mansoni	Guanine nucleotide-binding protein G(s) subunit alpha (Adenylate cyclase-stimulating G alpha protein)	0.0055	0.6234	0.6234
Treponema pallidum	cyclic nucleotide binding protein	0.001	0.0402	0.5
Brugia malayi	Hypothetical UPF0028 protein ZK370.4 in chromosome III, putative	0.001	0.0402	0.0443
Mycobacterium ulcerans	hypothetical protein	0.001	0.0402	0.5
Loa Loa (eye worm)	hypothetical protein	0.0015	0.106	0.0758
Echinococcus granulosus	serine:threonine protein kinase Chk2	0.0038	0.4031	0.4439
Mycobacterium tuberculosis	Conserved hypothetical protein	0.001	0.0402	0.5
Echinococcus granulosus	cyclic nucleotide gated cation channel alpha 3	0.0015	0.106	0.1167
Schistosoma mansoni	hyperpolarization activated cyclic nucleotide-gated potassium channel	0.0015	0.106	0.106
Echinococcus multilocularis	serine:threonine protein kinase Chk2	0.0038	0.4031	0.4181
Onchocerca volvulus	Rap guanine nucleotide exchange factor 1 homolog	0.001	0.0402	0.5
Loa Loa (eye worm)	voltage and ligand gated potassium channel	0.0077	0.9081	1
Onchocerca volvulus		0.001	0.0402	0.5
Brugia malayi	Voltage-gated potassium channel, EAG (KCNH1)-related. C. elegans egl-2 ortholog	0.0022	0.1979	0.2179
Echinococcus multilocularis	cGMP dependent protein kinase 1	0.0011	0.0442	0.0046
Echinococcus multilocularis	cGMP dependent protein kinase 1	0.0011	0.0442	0.0046
Trypanosoma brucei	protein kinase A regulatory subunit	0.001	0.0402	1
Trypanosoma brucei	Flagellar Member 6	0.001	0.0402	1
Schistosoma mansoni	cyclic-nucleotide-gated cation channel	0.0015	0.106	0.106
Echinococcus multilocularis	hyperpolarization activated cyclic	0.0015	0.106	0.0758
Echinococcus granulosus	potassium voltage gated channel subfamily H	0.0077	0.9081	1
Echinococcus multilocularis	guanine nucleotide binding protein G(s) subunit	0.0055	0.6234	0.6719
Trypanosoma brucei	cAMP binding protein, putative	0.001	0.0402	1
Loa Loa (eye worm)	GTP-binding regulatory protein Gs alpha-S chain	0.0055	0.6234	0.6719
Giardia lamblia	CAMP-dependent protein kinase regulatory chain	0.001	0.0402	0.5
Schistosoma mansoni	cyclic-nucleotide-gated cation channel	0.001	0.0402	0.0402
Schistosoma mansoni	cyclic nucleotide-gated ion channel	0.001	0.0402	0.0402
Echinococcus granulosus	cGMP dependent protein kinase	0.0011	0.0442	0.0487
Brugia malayi	Voltage-gated potassium channel, HERG (KCNH2)-related. C. elegans unc-103 ortholog	0.0077	0.9081	1
Echinococcus multilocularis	potassium voltage gated channel subfamily H	0.0077	0.9081	1
Loa Loa (eye worm)	hypothetical protein	0.0067	0.7761	0.8478
Echinococcus multilocularis	cyclic nucleotide gated cation channel	0.0015	0.106	0.0758
Echinococcus granulosus	cyclic nucleotide gated cation channel	0.001	0.0402	0.0443
Trypanosoma cruzi	Flagellar Member 6	0.001	0.0402	0.5
Brugia malayi	cAMP-dependent protein kinase regulatory chain, putative	0.001	0.0402	0.0443
Echinococcus granulosus	cAMP dependent protein kinase type II regulatory	0.001	0.0402	0.0443
Plasmodium falciparum	cGMP-dependent protein kinase	0.0011	0.0442	1
Mycobacterium ulcerans	hypothetical protein	0.001	0.0402	0.5
Mycobacterium ulcerans	hypothetical protein	0.001	0.0402	0.5
Mycobacterium tuberculosis	Probable conserved transmembrane transport protein	0.001	0.0402	0.5
Echinococcus granulosus	hyperpolarization activated cyclic	0.0015	0.106	0.1167
Trypanosoma cruzi	hypothetical protein, conserved	0.001	0.0402	0.5
Schistosoma mansoni	hypothetical protein	0.001	0.0402	0.0402
Echinococcus multilocularis	voltage gated potassium channel	0.0022	0.1979	0.1816
Schistosoma mansoni	hyperpolarization activated cyclic nucleotide-gated potassium channel	0.001	0.0402	0.0402
Schistosoma mansoni	hyperpolarization activated cyclic nucleotide-gated potassium channel	0.0015	0.106	0.106
Echinococcus granulosus	calcium:calmodulin dependent protein kinase I	0.0038	0.4029	0.4436
Schistosoma mansoni	serine/threonine protein kinase	0.0038	0.4031	0.4031
Brugia malayi	Egg laying defective protein 4	0.0011	0.0442	0.0487
Schistosoma mansoni	cyclic-nucleotide-gated cation channel	0.0015	0.106	0.106
Schistosoma mansoni	voltage-gated potassium channel	0.0084	1	1
Echinococcus multilocularis	expressed conserved protein	0.0011	0.0442	0.0046
Entamoeba histolytica	protein kinase, putative	0.0038	0.4031	0.5
Loa Loa (eye worm)	cyclic-nucleotide gated cation channel	0.0015	0.106	0.0758
Echinococcus multilocularis	potassium:sodium hyperpolarization activated	0.0015	0.106	0.0758
Echinococcus multilocularis	calcium:calmodulin dependent protein kinase I	0.0038	0.4029	0.4179
Schistosoma mansoni	serine/threonine protein kinase	0.0011	0.0442	0.0442
Schistosoma mansoni	serine/threonine protein kinase	0.0011	0.0442	0.0442
Schistosoma mansoni	voltage-gated potassium channel	0.0012	0.0658	0.0658
Echinococcus granulosus	cGMP dependent protein kinase 1	0.0011	0.0442	0.0487
Echinococcus granulosus	cGMP dependent protein kinase 1	0.0011	0.0442	0.0487
Leishmania major	protein kinase, putative	0.0011	0.0442	1
Plasmodium vivax	CAMP-dependent protein kinase regulatory subunit, putative	0.001	0.0402	0.5
Echinococcus granulosus	cAMP dependent protein kinase regulatory	0.001	0.0402	0.0443
Trichomonas vaginalis	voltage and ligand gated potassium channel, putative	0.0072	0.8423	1
Trichomonas vaginalis	conserved hypothetical protein	0.001	0.0402	0.0477
Brugia malayi	Cyclic-nucleotide gated cation channel, C. elegans tax-4 ortholog	0.001	0.0402	0.0443

Activities

Activity type	Activity value	Assay description	Source	Reference
Potency (functional)	4.1475 uM	PUBCHEM_BIOASSAY: Primary qHTS for delayed death inhibitors of the malarial parasite plastid, 96 hour incubation. (Class of assay: confirmatory) [Related pubchem assays (depositor defined):AID488745, AID488752, AID488774, AID504848, AID504850]	ChEMBL.	No reference
Potency (functional)	11.2202 uM	PubChem BioAssay. qHTS for Agonist of gsp, the Etiologic Mutation Responsible for Fibrous Dysplasia/McCune-Albright Syndrome: qHTS. (Class of assay: confirmatory)	ChEMBL.	No reference
Potency (functional)	= 28.1838 um	PUBCHEM_BIOASSAY: qHTS Assay for Inhibitors Targeting the Menin-MLL Interaction in MLL Related Leukemias: Competition With Texas Red Labeled MLL-derived Mutant Peptide. (Class of assay: confirmatory)	ChEMBL.	No reference

Phenotypes

Whole-cell/tissue/organism interactions

Species name	Source	Reference	Is orphan
Plasmodium falciparum	ChEMBL23

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: CHEMBL1576632

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 1429517