TDR Targets

Basic information

Technical information

TDR Targets ID: 1203982
Name: [2-[2-(3,4-dimethoxyphenyl)ethylamino]-2-oxoe thyl] 2-hydroxy-5-(phenylmethylsulfamoyl)benz oate
MW: 528.574 | Formula: C26H28N2O8S
H donors: 3 H acceptors: 5 LogP: 3.67 Rotable bonds: 14
Rule of 5 violations (Lipinski): 2
SMILES: COc1cc(CCNC(=O)COC(=O)c2cc(ccc2O)S(=O)(=O)NCc2ccccc2)ccc1OC
InChi: 1S/C26H28N2O8S/c1-34-23-11-8-18(14-24(23)35-2)12-13-27-25(30)17-36-26(31)21-15-20(9-10-22(21)29)37(32,33)28-16-19-6-4-3-5-7-19/h3-11,14-15,28-29H,12-13,16-17H2,1-2H3,(H,27,30)
InChiKey: FGKGAGCSVJHSOI-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

[2-[2-(3,4-dimethoxyphenyl)ethylamino]-2-oxo-ethyl] 2-hydroxy-5-(phenylmethylsulfamoyl)benzoate
2-hydroxy-5-(phenylmethylsulfamoyl)benzoic acid [2-[2-(3,4-dimethoxyphenyl)ethylamino]-2-oxoethyl] ester
5-(benzylsulfamoyl)-2-hydroxy-benzoic acid [2-[2-(3,4-dimethoxyphenyl)ethylamino]-2-keto-ethyl] ester
T0506-9898
MLS000757599
SMR000371910

Targets

Known targets for this compound

Species	Target name	Source	Bibliographic reference
Homo sapiens	glucagon-like peptide 1 receptor	Starlite/ChEMBL	No references
Homo sapiens	APEX nuclease (multifunctional DNA repair enzyme) 1	Starlite/ChEMBL	No references
Homo sapiens	glycoprotein hormones, alpha polypeptide	Starlite/ChEMBL	No references
Homo sapiens	glutaminase	Starlite/ChEMBL	No references

Predicted pathogen targets for this compound

By orthology

Species	Potential target	Known druggable target/s	Ortholog Group
Cryptosporidium hominis	dna-(apurinic or apyrimidinic site) lyase	Get druggable targets OG5_126768	All targets in OG5_126768
Trypanosoma cruzi	apurinic/apyrimidinic endonuclease	Get druggable targets OG5_126768	All targets in OG5_126768
Toxoplasma gondii	exonuclease III APE	Get druggable targets OG5_126768	All targets in OG5_126768
Plasmodium berghei	AP endonuclease (DNA-[apurinic or apyrimidinic site] lyase), putative	Get druggable targets OG5_126768	All targets in OG5_126768
Leishmania braziliensis	apurinic/apyrimidinic endonuclease-redox protein	Get druggable targets OG5_126768	All targets in OG5_126768
Wolbachia endosymbiont of Brugia malayi	exonuclease III	Get druggable targets OG5_126768	All targets in OG5_126768
Mycobacterium tuberculosis	Probable exodeoxyribonuclease III protein XthA (exonuclease III) (EXO III) (AP endonuclease VI)	Get druggable targets OG5_126768	All targets in OG5_126768
Treponema pallidum	exodeoxyribonuclease (exoA)	Get druggable targets OG5_126768	All targets in OG5_126768
Schistosoma japonicum	DNA-(apurinic or apyrimidinic site) lyase 2, putative	Get druggable targets OG5_126768	All targets in OG5_126768
Trichomonas vaginalis	glutaminase, putative	Get druggable targets OG5_129245	All targets in OG5_129245
Brugia malayi	exodeoxyribonuclease III family protein	Get druggable targets OG5_126768	All targets in OG5_126768
Trichomonas vaginalis	ap endonuclease, putative	Get druggable targets OG5_126768	All targets in OG5_126768
Candida albicans	similar to S. cerevisiae APN2 (YBL019W) DNA repair apurinic/apyrimidinic endonuclease	Get druggable targets OG5_126768	All targets in OG5_126768
Plasmodium falciparum	AP endonuclease (DNA-[apurinic or apyrimidinic site] lyase), putative	Get druggable targets OG5_126768	All targets in OG5_126768
Theileria parva	hypothetical protein	Get druggable targets OG5_126768	All targets in OG5_126768
Trypanosoma brucei gambiense	apurinic/apyrimidinic endonuclease, putative	Get druggable targets OG5_126768	All targets in OG5_126768
Mycobacterium ulcerans	glutaminase	Get druggable targets OG5_129245	All targets in OG5_129245
Plasmodium yoelii	putative AP endonuclease-related	Get druggable targets OG5_126768	All targets in OG5_126768
Neospora caninum	hypothetical protein	Get druggable targets OG5_126768	All targets in OG5_126768
Trypanosoma cruzi	apurinic/apyrimidinic endonuclease, putative	Get druggable targets OG5_126768	All targets in OG5_126768
Echinococcus multilocularis	DNA (apurinic or apyrimidinic site) lyase	Get druggable targets OG5_126768	All targets in OG5_126768
Brugia malayi	glutaminase DH11.1	Get druggable targets OG5_129245	All targets in OG5_129245
Cryptosporidium parvum	conserved hypothetical protein	Get druggable targets OG5_126768	All targets in OG5_126768
Candida albicans	similar to S. cerevisiae APN2 (YBL019W) DNA repair apurinic/apyrimidinic endonuclease	Get druggable targets OG5_126768	All targets in OG5_126768
Leishmania infantum	apurinic/apyrimidinic endonuclease-redox protein	Get druggable targets OG5_126768	All targets in OG5_126768
Leishmania mexicana	apurinic/apyrimidinic endonuclease-redox protein,AP-endonuclease	Get druggable targets OG5_126768	All targets in OG5_126768
Entamoeba histolytica	exodeoxyribonuclease III, putative	Get druggable targets OG5_126768	All targets in OG5_126768
Loa Loa (eye worm)	glutaminase 2	Get druggable targets OG5_129245	All targets in OG5_129245
Schistosoma japonicum	ko:K10772 AP endonuclease 2, putative	Get druggable targets OG5_126768	All targets in OG5_126768
Trypanosoma brucei	apurinic/apyrimidinic endonuclease, putative	Get druggable targets OG5_126768	All targets in OG5_126768
Loa Loa (eye worm)	exodeoxyribonuclease III family protein	Get druggable targets OG5_126768	All targets in OG5_126768
Schistosoma mansoni	ap endonuclease	Get druggable targets OG5_126768	All targets in OG5_126768
Plasmodium knowlesi	AP endonuclease (DNA-[apurinic or apyrimidinic site] lyase), putative	Get druggable targets OG5_126768	All targets in OG5_126768
Echinococcus granulosus	DNA apurinic or apyrimidinic site lyase	Get druggable targets OG5_126768	All targets in OG5_126768
Leishmania major	apurinic/apyrimidinic endonuclease-redox protein	Get druggable targets OG5_126768	All targets in OG5_126768
Plasmodium vivax	AP endonuclease (DNA-[apurinic or apyrimidinic site] lyase), putative	Get druggable targets OG5_126768	All targets in OG5_126768
Schistosoma mansoni	ap endonuclease	Get druggable targets OG5_126768	All targets in OG5_126768
Leishmania donovani	apurinic/apyrimidinic endonuclease-redox protein	Get druggable targets OG5_126768	All targets in OG5_126768
Schistosoma mansoni	glutaminase	Get druggable targets OG5_129245	All targets in OG5_129245
Mycobacterium ulcerans	exodeoxyribonuclease III protein XthA	Get druggable targets OG5_126768	All targets in OG5_126768
Trichomonas vaginalis	ap endonuclease, putative	Get druggable targets OG5_126768	All targets in OG5_126768
Schistosoma japonicum	DNA-(apurinic or apyrimidinic site) lyase 2, putative	Get druggable targets OG5_126768	All targets in OG5_126768
Schistosoma japonicum	ko:K10771 AP endonuclease 1, putative	Get druggable targets OG5_126768	All targets in OG5_126768
Giardia lamblia	Endonuclease/Exonuclease/phosphatase	Get druggable targets OG5_126768	All targets in OG5_126768
Trypanosoma congolense	apurinic/apyrimidinic endonuclease, putative	Get druggable targets OG5_126768	All targets in OG5_126768
Loa Loa (eye worm)	glutaminase	Get druggable targets OG5_129245	All targets in OG5_129245

By sequence similarity to non orthologous known druggable targets

Species	Potential target	Known druggable target	Length	Alignment span	Identity
Loa Loa (eye worm)	pigment dispersing factor receptor c	glucagon-like peptide 1 receptor	463 aa	388 aa	25.8 %
Toxoplasma gondii	intraflagellar transport protein 172, putative	glycoprotein hormones, alpha polypeptide	116 aa	94 aa	26.6 %

Ranking Plot

Putative Targets List

Species	Potential target	Raw	Global	Species
Echinococcus granulosus	phd:f box containing protein	0.0018	0.0134	0.0125
Trichomonas vaginalis	ap endonuclease, putative	0.0023	0.0191	0.047
Echinococcus multilocularis	diuretic hormone 44 receptor GPRdih2	0.0019	0.0145	0.0136
Brugia malayi	latrophilin 2 splice variant baaae	0.0041	0.0423	0.0968
Echinococcus multilocularis	cadherin EGF LAG seven pass G type receptor	0.0019	0.0145	0.0136
Entamoeba histolytica	kinesin, putative	0.0061	0.0675	1
Schistosoma mansoni	hypothetical protein	0.0019	0.0145	0.0136
Echinococcus multilocularis	histone lysine N methyltransferase MLL3	0.001	0.0035	0.0026
Schistosoma mansoni	kinesin eg-5	0.0061	0.0675	0.0666
Brugia malayi	exodeoxyribonuclease III family protein	0.0023	0.0191	0.0392
Echinococcus multilocularis	GPCR, family 2	0.0019	0.0145	0.0136
Loa Loa (eye worm)	hypothetical protein	0.0018	0.0134	0.0247
Loa Loa (eye worm)	hypothetical protein	0.0173	0.209	0.5101
Brugia malayi	jmjC domain containing protein	0.0018	0.0134	0.0251
Echinococcus multilocularis	lysine specific demethylase 6a	0.0018	0.0134	0.0125
Echinococcus multilocularis	Transcription factor, JmjC domain containing protein	0.0068	0.0765	0.0757
Echinococcus granulosus	jumonji domain containing 1A	0.0018	0.0134	0.0125
Echinococcus multilocularis	muscleblind protein 1	0.0173	0.209	0.2083
Schistosoma mansoni	jumonji domain containing protein	0.0018	0.0134	0.0125
Brugia malayi	Kinesin motor domain containing protein	0.0061	0.0675	0.1592
Echinococcus granulosus	histone lysine N methyltransferase MLL3	0.001	0.0035	0.0026
Wolbachia endosymbiont of Brugia malayi	exonuclease III	0.0023	0.0191	0.5
Brugia malayi	Latrophilin receptor protein 2	0.0019	0.0145	0.0277
Trypanosoma brucei	apurinic/apyrimidinic endonuclease, putative	0.0023	0.0191	1
Schistosoma mansoni	ap endonuclease	0.0023	0.0191	0.0182
Brugia malayi	Calcitonin receptor-like protein seb-1	0.006	0.0663	0.1563
Echinococcus granulosus	lysine specific demethylase 6a	0.0018	0.0134	0.0125
Plasmodium vivax	AP endonuclease (DNA-[apurinic or apyrimidinic site] lyase), putative	0.0023	0.0191	0.1048
Echinococcus granulosus	muscleblind protein	0.0173	0.209	0.2083
Trypanosoma cruzi	apurinic/apyrimidinic endonuclease	0.0023	0.0191	1
Brugia malayi	glutaminase DH11.1	0.033	0.4064	1
Schistosoma mansoni	hypothetical protein	0.0019	0.0145	0.0136
Trichomonas vaginalis	ap endonuclease, putative	0.0023	0.0191	0.047
Toxoplasma gondii	exonuclease III APE	0.0023	0.0191	0.1001
Schistosoma mansoni	hypothetical protein	0.0019	0.0145	0.0136
Brugia malayi	Corticotropin releasing factor receptor 2 precursor, putative	0.006	0.0663	0.1563
Loa Loa (eye worm)	hypothetical protein	0.0019	0.0145	0.0273
Loa Loa (eye worm)	jmjC domain-containing protein	0.007	0.0789	0.1872
Echinococcus multilocularis	lysine specific demethylase 5A	0.0068	0.0765	0.0757
Schistosoma mansoni	hypothetical protein	0.0041	0.0423	0.0414
Schistosoma mansoni	jumonji/arid domain-containing protein	0.007	0.0789	0.0781
Treponema pallidum	exodeoxyribonuclease (exoA)	0.0023	0.0191	0.5
Schistosoma mansoni	phd/f-box containing protein	0.0018	0.0134	0.0125
Loa Loa (eye worm)	hypothetical protein	0.006	0.0663	0.156
Schistosoma mansoni	microtubule-associated protein tau	0.0801	1	1
Brugia malayi	jmjC domain containing protein	0.0018	0.0134	0.0251
Schistosoma mansoni	cpg binding protein	0.0035	0.0349	0.034
Echinococcus granulosus	lysine specific demethylase 5A	0.007	0.0789	0.0781
Mycobacterium ulcerans	glutaminase	0.033	0.4064	1
Mycobacterium tuberculosis	Probable exodeoxyribonuclease III protein XthA (exonuclease III) (EXO III) (AP endonuclease VI)	0.0023	0.0191	0.5
Schistosoma mansoni	jumonji/arid domain-containing protein	0.007	0.0789	0.0781
Echinococcus granulosus	cpg binding protein	0.0035	0.0349	0.034
Echinococcus granulosus	DNA apurinic or apyrimidinic site lyase	0.0023	0.0191	0.0182
Loa Loa (eye worm)	jmjC domain-containing protein	0.0018	0.0134	0.0247
Schistosoma mansoni	mixed-lineage leukemia protein mll	0.0071	0.0796	0.0788
Echinococcus granulosus	cadherin EGF LAG seven pass G type receptor	0.0019	0.0145	0.0136
Echinococcus multilocularis	phd:f box containing protein	0.0018	0.0134	0.0125
Loa Loa (eye worm)	glutaminase	0.033	0.4064	1
Brugia malayi	jmjC domain containing protein	0.0068	0.0765	0.1816
Onchocerca volvulus		0.0033	0.0325	0.5
Schistosoma mansoni	hypothetical protein	0.0019	0.0145	0.0136
Brugia malayi	jmjC domain containing protein	0.007	0.0789	0.1876
Loa Loa (eye worm)	latrophilin receptor protein 2	0.0019	0.0145	0.0273
Loa Loa (eye worm)	jmjC domain-containing protein	0.0018	0.0134	0.0247
Loa Loa (eye worm)	pigment dispersing factor receptor c	0.006	0.0663	0.156
Schistosoma mansoni	cpg binding protein	0.0035	0.0349	0.034
Leishmania major	apurinic/apyrimidinic endonuclease-redox protein	0.0023	0.0191	1
Echinococcus multilocularis	Jumonji, AT rich interactive domain 1B	0.002	0.0158	0.0149
Echinococcus granulosus	diuretic hormone 44 receptor GPRdih2	0.0019	0.0145	0.0136
Giardia lamblia	Kinesin-5	0.0061	0.0675	1
Loa Loa (eye worm)	hypothetical protein	0.0018	0.0134	0.0247
Brugia malayi	jmjC domain containing protein	0.0018	0.0134	0.0251
Brugia malayi	CXXC zinc finger family protein	0.0033	0.0325	0.0724
Echinococcus granulosus	JmjC domain containing protein 4	0.0018	0.0134	0.0125
Schistosoma mansoni	cpg binding protein	0.0033	0.0325	0.0316
Brugia malayi	Muscleblind-like protein	0.0173	0.209	0.5103
Trichomonas vaginalis	glutaminase, putative	0.033	0.4064	1
Schistosoma mansoni	phosphatidylserine receptor	0.0018	0.0134	0.0125
Schistosoma mansoni	jumonji domain containing protein	0.0068	0.0765	0.0757
Loa Loa (eye worm)	jmjC domain-containing protein	0.0018	0.0134	0.0247
Loa Loa (eye worm)	hypothetical protein	0.0173	0.209	0.5101
Toxoplasma gondii	histone lysine methyltransferase SET1	0.0063	0.0701	1
Schistosoma mansoni	ubiquitously transcribed sex (X/Y) chromosome tetratricopeptide repeat protein-related	0.0018	0.0134	0.0125
Echinococcus multilocularis	muscleblind protein	0.0173	0.209	0.2083
Loa Loa (eye worm)	glutaminase 2	0.033	0.4064	1
Loa Loa (eye worm)	CXXC zinc finger family protein	0.0033	0.0325	0.072
Echinococcus granulosus	Jumonji AT rich interactive domain 1B	0.002	0.0158	0.0149
Echinococcus multilocularis	microtubule associated protein 2	0.0801	1	1
Schistosoma mansoni	ap endonuclease	0.0023	0.0191	0.0182
Schistosoma mansoni	glutaminase	0.033	0.4064	0.4058
Echinococcus granulosus	kinesin family 1	0.0471	0.5833	0.583
Plasmodium falciparum	AP endonuclease (DNA-[apurinic or apyrimidinic site] lyase), putative	0.0023	0.0191	0.1048
Echinococcus multilocularis	jumonji domain containing 1A	0.0018	0.0134	0.0125
Echinococcus granulosus	Transcription factor JmjC domain containing protein	0.0068	0.0765	0.0757
Plasmodium vivax	kinesin-5	0.0061	0.0675	1
Echinococcus multilocularis	kinesin family 1	0.0471	0.5833	0.583
Brugia malayi	jmjC domain containing protein	0.0018	0.0134	0.0251
Brugia malayi	calcium-independent alpha-latrotoxin receptor 2, putative	0.0019	0.0145	0.0277
Loa Loa (eye worm)	hypothetical protein	0.0041	0.0423	0.0964
Loa Loa (eye worm)	exodeoxyribonuclease III family protein	0.0023	0.0191	0.0388
Echinococcus multilocularis	DNA (apurinic or apyrimidinic site) lyase	0.0023	0.0191	0.0182
Echinococcus granulosus	GPCR family 2	0.0019	0.0145	0.0136
Plasmodium falciparum	kinesin-5	0.0061	0.0675	1
Loa Loa (eye worm)	kinesin-like protein KLP2	0.0061	0.0675	0.1589
Trypanosoma cruzi	apurinic/apyrimidinic endonuclease, putative	0.0023	0.0191	1
Loa Loa (eye worm)	hypothetical protein	0.0018	0.0134	0.0247
Schistosoma mansoni	hypothetical protein	0.0409	0.5063	0.5059
Toxoplasma gondii	kinesin motor domain-containing protein	0.0061	0.0675	0.9545
Echinococcus multilocularis	cpg binding protein	0.0035	0.0349	0.034
Echinococcus multilocularis	JmjC domain containing protein 4	0.0018	0.0134	0.0125
Schistosoma mansoni	protein phosphatase 2C	0.0018	0.0134	0.0125

Activities

Activity type	Activity value	Assay description	Source	Reference
Potency (functional)	0.5012 uM	PubChem BioAssay. qHTS for Inhibitors of Glutaminase (GLS). (Class of assay: confirmatory)	ChEMBL.	No reference
Potency (functional)	1.5849 uM	PubChem BioAssay. qHTS for Activators of Integrin-Mediated Alleviation for Muscular Dystrophy. (Class of assay: confirmatory)	ChEMBL.	No reference
Potency (functional)	2.8184 uM	PubChem BioAssay. qHTS of GLP-1 Receptor Inverse Agonists (Inhibition Mode). (Class of assay: confirmatory)	ChEMBL.	No reference
Potency (functional)	19.9526 uM	PubChem BioAssay. qHTS Assay for Inhibitors of the Human Apurinic/apyrimidinic Endonuclease 1 (APE1). (Class of assay: confirmatory)	ChEMBL.	No reference
Potency (functional)	= 35.4813 um	PUBCHEM_BIOASSAY: qHTS Assay for Inhibitors of Human Jumonji Domain Containing 2E (JMJD2E). (Class of assay: confirmatory)	ChEMBL.	No reference
Potency (functional)	39.8107 uM	PUBCHEM_BIOASSAY: qHTS Assay for Inhibitors of GCN5L2. (Class of assay: confirmatory) [Related pubchem assays (depositor defined):AID504398]	ChEMBL.	No reference

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: CHEMBL1299875

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 1203982