TDR Targets

Basic information

Technical information

TDR Targets ID: 1439402
Name: N-[2-(2-methoxyphenyl)ethyl]-3-(phenylmethyls ulfamoyl)benzamide
MW: 424.513 | Formula: C23H24N2O4S
H donors: 2 H acceptors: 3 LogP: 3.59 Rotable bonds: 10
Rule of 5 violations (Lipinski): 1
SMILES: COc1ccccc1CCNC(=O)c1cccc(c1)S(=O)(=O)NCc1ccccc1
InChi: 1S/C23H24N2O4S/c1-29-22-13-6-5-10-19(22)14-15-24-23(26)20-11-7-12-21(16-20)30(27,28)25-17-18-8-3-2-4-9-18/h2-13,16,25H,14-15,17H2,1H3,(H,24,26)
InChiKey: GAOZISMYWGXCQE-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

3-(benzylsulfamoyl)-N-[2-(2-methoxyphenyl)ethyl]benzamide
T5529314

Targets

Known targets for this compound

Species	Target name	Source	Bibliographic reference
Homo sapiens	glucagon-like peptide 1 receptor	Starlite/ChEMBL	No references

Predicted pathogen targets for this compound

By orthology

No druggable targets predicted by orthology data

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 %

Ranking Plot

Putative Targets List

Species	Potential target	Raw	Global	Species
Loa Loa (eye worm)	hypothetical protein	0.0535	0.9744	0.9744
Toxoplasma gondii	cell-cycle-associated protein kinase CDK, putative	0.027	0.4519	0.5984
Trypanosoma cruzi	cdc2-related kinase 1	0.027	0.4519	0.1369
Echinococcus granulosus	5'partial\|cyclin dependent kinase 1	0.027	0.4519	0.4494
Trypanosoma brucei	casein kinase I, isoform 2	0.024	0.3919	0.0424
Trypanosoma brucei	cdc2-related kinase 3	0.027	0.4519	0.1369
Loa Loa (eye worm)	CMGC/CDK/CDC2 protein kinase	0.027	0.4519	0.4519
Echinococcus granulosus	casein kinase I alpha	0.024	0.3919	0.3892
Entamoeba histolytica	hypothetical protein	0.0548	1	1
Echinococcus granulosus	dual specificity	0.0226	0.3649	0.3621
Echinococcus granulosus	cyclin dependent kinase	0.027	0.4519	0.4494
Loa Loa (eye worm)	CMGC/DYRK/DYRK2 protein kinase	0.0226	0.3649	0.3649
Leishmania major	serine/threonine-protein kinase, putative,protein kinase, putative	0.0548	1	1
Leishmania major	cell division protein kinase 2,cdc2-related kinase	0.027	0.4519	0.1369
Trypanosoma brucei	protein kinase, putative	0.03	0.5102	0.2287
Toxoplasma gondii	cell-cycle-associated protein kinase GSK, putative	0.03	0.5102	1
Loa Loa (eye worm)	CMGC/CDK/CDC2 protein kinase	0.027	0.4519	0.4519
Onchocerca volvulus		0.024	0.3919	0.1779
Plasmodium vivax	glycogen synthase kinase 3, putative	0.03	0.5102	1
Trichomonas vaginalis	CMGC family protein kinase	0.027	0.4519	0.5984
Schistosoma mansoni	protein kinase	0.024	0.3919	0.3919
Trypanosoma cruzi	cdc2-related kinase 3	0.027	0.4519	0.1369
Schistosoma mansoni	serine/threonine protein kinase	0.027	0.4519	0.4519
Echinococcus multilocularis	cyclin dependent kinase	0.027	0.4519	0.1369
Brugia malayi	Calcitonin receptor-like protein seb-1	0.006	0.0376	0.0376
Trichomonas vaginalis	CMGC family protein kinase	0.027	0.4519	0.5984
Brugia malayi	intracellular kinase	0.03	0.5102	0.5102
Echinococcus granulosus	protein kinase shaggy	0.03	0.5102	0.508
Loa Loa (eye worm)	CMGC/CDK/CDK5 protein kinase	0.027	0.4519	0.4519
Echinococcus granulosus	cyclin dependent kinase 5	0.027	0.4519	0.4494
Echinococcus granulosus	dual specificity	0.0548	1	1
Echinococcus granulosus	casein kinase i	0.024	0.3919	0.3892
Echinococcus multilocularis	casein kinase I alpha	0.024	0.3919	0.0424
Entamoeba histolytica	cell division protein kinase 2, putative	0.027	0.4519	0.1369
Trichomonas vaginalis	CK1 family protein kinase	0.024	0.3919	0.1855
Trypanosoma cruzi	cdc2-related kinase 3	0.027	0.4519	0.1369
Echinococcus granulosus	casein kinase I alpha	0.024	0.3919	0.3892
Brugia malayi	Dual-specificity tyrosine-phosphorylation regulated kinase 2	0.0226	0.3649	0.3649
Loa Loa (eye worm)	hypothetical protein	0.006	0.0376	0.0376
Trichomonas vaginalis	CK1 family protein kinase	0.024	0.3919	0.1855
Loa Loa (eye worm)	pigment dispersing factor receptor c	0.006	0.0376	0.0376
Leishmania major	glycogen synthase kinase, putative;with=GeneDB:LinJ18_V3.0270	0.03	0.5102	0.2287
Brugia malayi	casein kinase 1, delta	0.024	0.3919	0.3919
Trypanosoma cruzi	casein kinase, putative	0.024	0.3919	0.0424
Trypanosoma brucei	CMGC/DYRK protein kinase, putative	0.0548	1	1
Giardia lamblia	Kinase, CK1 Casein kinase	0.024	0.3919	0.1855
Loa Loa (eye worm)	CK1/CK1/CK1-A protein kinase	0.024	0.3919	0.3919
Trypanosoma brucei	cdc2-related kinase 1	0.027	0.4519	0.1369
Giardia lamblia	Kinase, CMGC GSK	0.03	0.5102	1
Schistosoma mansoni	serine/threonine protein kinase	0.0226	0.3649	0.3649
Echinococcus multilocularis	glycogen synthase kinase 3 beta	0.03	0.5102	0.2287
Echinococcus multilocularis	casein kinase I alpha	0.024	0.3919	0.0424
Plasmodium vivax	protein kinase Crk2	0.027	0.4519	0.5069
Echinococcus granulosus	casein kinase I delta	0.024	0.3919	0.3892
Echinococcus granulosus	casein kinase I alpha	0.024	0.3919	0.3892
Loa Loa (eye worm)	hypothetical protein	0.0535	0.9744	0.9744
Plasmodium falciparum	glycogen synthase kinase 3	0.03	0.5102	1
Brugia malayi	Corticotropin releasing factor receptor 2 precursor, putative	0.006	0.0376	0.0376
Echinococcus multilocularis	cyclin dependent kinase 1	0.027	0.4519	0.1369
Loa Loa (eye worm)	CMGC/GSK protein kinase	0.03	0.5102	0.5102
Schistosoma mansoni	serine/threonine protein kinase	0.024	0.3919	0.3919
Loa Loa (eye worm)	CMGC/DYRK/DYRK1 protein kinase	0.0548	1	1
Trichomonas vaginalis	CMGC family protein kinase	0.03	0.5102	1
Schistosoma mansoni	glycogen synthase kinase 3-related (gsk3) (cmgc group III)	0.03	0.5102	0.5102
Echinococcus granulosus	dual specificity	0.0226	0.3649	0.3621
Brugia malayi	Protein kinase domain containing protein	0.027	0.4519	0.4519
Entamoeba histolytica	protein kinase domain containing protein	0.0548	1	1
Echinococcus multilocularis	cyclin dependent kinase 1	0.027	0.4519	0.1369
Trypanosoma cruzi	CMGC/DYRK protein kinase, putative	0.0548	1	1
Trypanosoma cruzi	CMGC/DYRK protein kinase, putative	0.0548	1	1
Echinococcus multilocularis	casein kinase I alpha	0.024	0.3919	0.0424
Trypanosoma cruzi	glycogen synthase kinase 3, putative	0.03	0.5102	0.2287
Toxoplasma gondii	casein kinase I	0.024	0.3919	0.1855
Leishmania major	cell division related protein kinase 2,cdc2-related kinase	0.027	0.4519	0.1369
Loa Loa (eye worm)	hypothetical protein	0.0257	0.4263	0.4263
Giardia lamblia	Kinase, CMGC CDK	0.027	0.4519	0.5984
Echinococcus multilocularis	casein kinase I delta	0.024	0.3919	0.0424
Trypanosoma cruzi	casein kinase, delta isoform, putative	0.0227	0.3663	0.0021
Echinococcus multilocularis	dual specificity	0.0548	1	1
Entamoeba histolytica	protein kinase domain containing protein	0.03	0.5102	0.2287
Loa Loa (eye worm)	CMGC/GSK protein kinase	0.03	0.5102	0.5102
Trypanosoma cruzi	casein kinase, putative	0.024	0.3919	0.0424
Brugia malayi	casein kinase I	0.024	0.3919	0.3919
Giardia lamblia	Kinase, CMGC CDK	0.027	0.4519	0.5984
Trypanosoma cruzi	casein kinase, delta isoform, putative	0.024	0.3919	0.0424
Echinococcus multilocularis	protein kinase shaggy	0.03	0.5102	0.2287
Entamoeba histolytica	protein kinase, putative	0.0548	1	1
Trypanosoma cruzi	casein kinase, putative	0.024	0.3919	0.0424
Entamoeba histolytica	cell division protein kinase 2, putative	0.027	0.4519	0.1369
Schistosoma mansoni	serine/threonine protein kinase	0.027	0.4519	0.4519
Onchocerca volvulus		0.03	0.5102	1
Entamoeba histolytica	protein kinase, putative	0.0548	1	1
Trypanosoma cruzi	casein kinase, putative	0.024	0.3919	0.0424
Loa Loa (eye worm)	CK1/CK1/CK1-A protein kinase	0.024	0.3919	0.3919
Trichomonas vaginalis	CMGC family protein kinase	0.03	0.5102	1
Echinococcus granulosus	casein kinase I delta	0.024	0.3919	0.3892
Trichomonas vaginalis	CMGC family protein kinase	0.027	0.4519	0.5984
Trypanosoma cruzi	casein kinase, putative	0.024	0.3919	0.0424
Echinococcus multilocularis	casein kinase i	0.024	0.3919	0.0424
Echinococcus granulosus	glycogen synthase kinase 3 beta	0.03	0.5102	0.508
Echinococcus multilocularis	casein kinase I delta	0.024	0.3919	0.0424
Echinococcus multilocularis	cyclin dependent kinase 5	0.027	0.4519	0.1369
Echinococcus granulosus	dual specificity	0.0226	0.3649	0.3621
Entamoeba histolytica	protein kinase, putative	0.03	0.5102	0.2287
Trichomonas vaginalis	CK1 family protein kinase	0.024	0.3919	0.1855
Loa Loa (eye worm)	CK1/CK1/CK1-D protein kinase	0.024	0.3919	0.3919
Plasmodium falciparum	protein kinase 5	0.027	0.4519	0.5069
Echinococcus granulosus	cyclin dependent kinase 1	0.027	0.4519	0.4494
Entamoeba histolytica	casein kinase, putative	0.024	0.3919	0.0424
Giardia lamblia	Kinase, CMGC GSK	0.03	0.5102	1
Schistosoma mansoni	serine/threonine protein kinase	0.0548	1	1
Entamoeba histolytica	protein kinase domain containing protein	0.03	0.5102	0.2287
Brugia malayi	cell division control protein 2 homolog	0.027	0.4519	0.4519
Entamoeba histolytica	casein kinase 1, putative	0.024	0.3919	0.0424
Trypanosoma cruzi	cdc2-related kinase 1	0.027	0.4519	0.1369
Leishmania major	casein kinase, putative	0.024	0.3919	0.0424

Activities

Activity type	Activity value	Assay description	Source	Reference
Potency (functional)	10 uM	PubChem BioAssay. qHTS of GLP-1 Receptor Inverse Agonists (Inhibition Mode). (Class of assay: confirmatory)	ChEMBL.	No reference
Potency (functional)	13.1154 uM	PUBCHEM_BIOASSAY: Primary qHTS for delayed death inhibitors of the malarial parasite plastid, 48 hour incubation. (Class of assay: confirmatory) [Related pubchem assays (depositor defined):AID488752, AID488774, AID504848, AID504850]	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: CHEMBL1599807

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 1439402