TDR Targets

Basic information

Technical information

TDR Targets ID: 1433614
Name: 2-(4-methoxyphenyl)-N-[4-(propan-2-ylsulfamoy l)phenyl]acetamide
MW: 362.443 | Formula: C18H22N2O4S
H donors: 2 H acceptors: 3 LogP: 2.43 Rotable bonds: 8
Rule of 5 violations (Lipinski): 1
SMILES: COc1ccc(cc1)CC(=O)Nc1ccc(cc1)S(=O)(=O)NC(C)C
InChi: 1S/C18H22N2O4S/c1-13(2)20-25(22,23)17-10-6-15(7-11-17)19-18(21)12-14-4-8-16(24-3)9-5-14/h4-11,13,20H,12H2,1-3H3,(H,19,21)
InChiKey: ZYDJNRLIJSBGMO-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

N-[4-(isopropylsulfamoyl)phenyl]-2-(4-methoxyphenyl)acetamide
2-(4-methoxyphenyl)-N-[4-(propan-2-ylsulfamoyl)phenyl]ethanamide
AN-329/42685666
ALD-N009074
ARONIS008061
MLS000531208
N-{4-[(isopropylamino)sulfonyl]phenyl}-2-(4-methoxyphenyl)acetamide
SMR000136186
ZINC02868934

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
Trichomonas vaginalis	PIKK family atypical protein kinase	0.0106	0.1208	0.7193
Echinococcus multilocularis	glycogen synthase kinase 3 beta	0.0058	0.0194	0.0126
Trypanosoma cruzi	cdc2-related kinase 1	0.0052	0.007	0.0211
Trichomonas vaginalis	PIKK family atypical protein kinase	0.0106	0.1208	0.7193
Trypanosoma cruzi	phosphatidylinositol 3-kinase, putative	0.006	0.0229	0.0695
Trichomonas vaginalis	PIKK family atypical protein kinase	0.0106	0.1208	0.7193
Leishmania major	phosphatidylinositol 3-related kinase, putative	0.0127	0.1653	0.524
Trichomonas vaginalis	PIKK family atypical protein kinase	0.0106	0.1208	0.7193
Trypanosoma cruzi	glycogen synthase kinase 3, putative	0.0058	0.0194	0.059
Giardia lamblia	GTOR	0.0106	0.1208	1
Trypanosoma brucei	FAT domain/Rapamycin binding domain/Phosphatidylinositol 3- and 4-kinase, putative	0.0067	0.0373	0.1919
Echinococcus multilocularis	serine protein kinase ATM	0.0088	0.0835	0.0771
Trypanosoma cruzi	phosphatidylinositol 3-related kinase, putative	0.0204	0.3291	1
Trichomonas vaginalis	PIKK family atypical protein kinase	0.0106	0.1208	0.7193
Loa Loa (eye worm)	cyclin domain-containing protein	0.0293	0.5178	1
Loa Loa (eye worm)	hypothetical protein	0.0067	0.0373	0.0638
Trichomonas vaginalis	PIKK family atypical protein kinase	0.0106	0.1208	0.7193
Trichomonas vaginalis	PIKK family atypical protein kinase	0.0106	0.1208	0.7193
Trichomonas vaginalis	PIKK family atypical protein kinase	0.0106	0.1208	0.7193
Loa Loa (eye worm)	phosphatidylinositol 3	0.0106	0.1208	0.2264
Echinococcus multilocularis	DNA dependent protein kinase catalytic subunit	0.0521	1	1
Schistosoma mansoni	ataxia telangiectasia mutated (atm)	0.0088	0.0835	0.2376
Loa Loa (eye worm)	hypothetical protein	0.006	0.0229	0.0355
Trichomonas vaginalis	PIKK family atypical protein kinase	0.0106	0.1208	0.7193
Brugia malayi	Phosphatidylinositol 3- and 4-kinase family protein	0.0088	0.0835	0.1498
Trichomonas vaginalis	CMGC family protein kinase	0.0058	0.0194	0.0788
Trypanosoma brucei	phosphatidylinositol 4-kinase, putative	0.0106	0.1208	0.7193
Loa Loa (eye worm)	CMGC/CDK/CDC2 protein kinase	0.0052	0.007	0.0046
Leishmania major	cell division related protein kinase 2,cdc2-related kinase	0.0052	0.007	0.0221
Trichomonas vaginalis	PIKK family atypical protein kinase	0.0106	0.1208	0.7193
Leishmania major	phosphatidylinositol 3-kinase, putative	0.0106	0.1208	0.3831
Trichomonas vaginalis	PIKK family atypical protein kinase	0.0106	0.1208	0.7193
Entamoeba histolytica	protein kinase domain containing protein	0.0058	0.0194	0.1095
Trypanosoma brucei	protein kinase, putative	0.0058	0.0194	0.0788
Echinococcus multilocularis	protein kinase shaggy	0.0058	0.0194	0.0126
Echinococcus granulosus	serine:threonine protein kinase SMG1	0.006	0.0229	0.016
Toxoplasma gondii	target of rapamycin (TOR), putative	0.0106	0.1208	1
Echinococcus multilocularis	FKBP12 rapamycin complex associated protein	0.0106	0.1208	0.1147
Brugia malayi	Phosphatidylinositol 3- and 4-kinase family protein	0.0204	0.3291	0.6306
Trypanosoma cruzi	Phosphatidylinositol 3-kinase tor1	0.0106	0.1208	0.3671
Trichomonas vaginalis	PIKK family atypical protein kinase	0.006	0.0229	0.1004
Onchocerca volvulus		0.0058	0.0194	0.5
Plasmodium falciparum	glycogen synthase kinase 3	0.0058	0.0194	1
Toxoplasma gondii	non-specific serine/threonine protein kinase	0.0067	0.0373	0.2668
Leishmania major	target of rapamycin (TOR) kinase 1, putative	0.0106	0.1208	0.3831
Trypanosoma cruzi	target of rapamycin kinase 3	0.0106	0.1208	0.3671
Trichomonas vaginalis	PIKK family atypical protein kinase	0.0088	0.0835	0.4834
Loa Loa (eye worm)	phosphatidylinositol 3	0.0127	0.1653	0.313
Brugia malayi	intracellular kinase	0.0058	0.0194	0.0244
Trichomonas vaginalis	PIKK family atypical protein kinase	0.0106	0.1208	0.7193
Trichomonas vaginalis	CMGC family protein kinase	0.0058	0.0194	0.0788
Trichomonas vaginalis	PIKK family atypical protein kinase	0.006	0.0229	0.1004
Trichomonas vaginalis	PIKK family atypical protein kinase	0.0106	0.1208	0.7193
Trichomonas vaginalis	PIKK family atypical protein kinase	0.0106	0.1208	0.7193
Giardia lamblia	Kinase, CMGC GSK	0.0058	0.0194	0.1095
Schistosoma mansoni	fkbp-rapamycin associated protein	0.006	0.0229	0.0494
Entamoeba histolytica	protein kinase domain containing protein	0.0058	0.0194	0.1095
Schistosoma mansoni	ataxia telangiectasia mutated (atm)-related	0.0106	0.1208	0.3535
Trypanosoma cruzi	cdc2-related kinase 3	0.0052	0.007	0.0211
Schistosoma mansoni	glycogen synthase kinase 3-related (gsk3) (cmgc group III)	0.0058	0.0194	0.0387
Trypanosoma cruzi	cdc2-related kinase 3	0.0052	0.007	0.0211
Trichomonas vaginalis	PIKK family atypical protein kinase	0.006	0.0229	0.1004
Trichomonas vaginalis	conserved hypothetical protein	0.0067	0.0373	0.1919
Trichomonas vaginalis	PIKK family atypical protein kinase	0.006	0.0229	0.1004
Brugia malayi	Phosphatidylinositol 3- and 4-kinase family protein	0.006	0.0229	0.0311
Entamoeba histolytica	protein kinase rad3, putative	0.006	0.0229	0.1396
Trichomonas vaginalis	PIKK family atypical protein kinase	0.0106	0.1208	0.7193
Leishmania major	target of rapamycin (TOR) kinase 2, putative	0.0106	0.1208	0.3831
Trichomonas vaginalis	PIKK family atypical protein kinase	0.0106	0.1208	0.7193
Trichomonas vaginalis	PIKK family atypical protein kinase	0.0106	0.1208	0.7193
Trichomonas vaginalis	PIKK family atypical protein kinase	0.0067	0.0373	0.1919
Trichomonas vaginalis	PIKK family atypical protein kinase	0.006	0.0229	0.1004
Trichomonas vaginalis	PIKK family atypical protein kinase	0.0106	0.1208	0.7193
Trichomonas vaginalis	PIKK family atypical protein kinase	0.0106	0.1208	0.7193
Echinococcus granulosus	phosphatidylinositol 3 and 4 kinase	0.0204	0.3291	0.3244
Leishmania major	glycogen synthase kinase, putative;with=GeneDB:LinJ18_V3.0270	0.0058	0.0194	0.0616
Trichomonas vaginalis	PIKK family atypical protein kinase	0.0106	0.1208	0.7193
Trypanosoma cruzi	Phosphatidylinositol 3-kinase tor2	0.0106	0.1208	0.3671
Entamoeba histolytica	FKBP-rapamycin associated protein (FRAP), putative	0.0106	0.1208	1
Trypanosoma cruzi	phosphatidylinositol kinase related protein, putative	0.0068	0.0403	0.1223
Entamoeba histolytica	Phosphatidylinositol 3- and 4-kinase family	0.0081	0.0673	0.5299
Trypanosoma brucei	phosphatidylinositol 3-related kinase, putative	0.0127	0.1653	1
Loa Loa (eye worm)	CMGC/CDK/CDC2 protein kinase	0.0052	0.007	0.0046
Leishmania major	hypothetical protein, conserved	0.0198	0.3154	1
Toxoplasma gondii	cell-cycle-associated protein kinase GSK, putative	0.0058	0.0194	0.1095
Loa Loa (eye worm)	CMGC/CDK/CDK5 protein kinase	0.0052	0.007	0.0046
Trichomonas vaginalis	PIKK family atypical protein kinase	0.0106	0.1208	0.7193
Trypanosoma cruzi	cdc2-related kinase 1	0.0052	0.007	0.0211
Trypanosoma brucei	phosphatidylinositol 3-kinase, putative	0.0106	0.1208	0.7193
Trypanosoma brucei	phosphatidylinositol kinase related protein, putative	0.0088	0.0835	0.4834
Trichomonas vaginalis	PIKK family atypical protein kinase	0.0106	0.1208	0.7193
Plasmodium vivax	glycogen synthase kinase 3, putative	0.0058	0.0194	1
Echinococcus multilocularis	serine:threonine protein kinase SMG1	0.006	0.0229	0.016
Trichomonas vaginalis	PIKK family atypical protein kinase	0.0106	0.1208	0.7193
Trypanosoma cruzi	phosphatidylinositol 3-related kinase, putative	0.0204	0.3291	1
Echinococcus multilocularis	phosphatidylinositol 3 and 4 kinase	0.0204	0.3291	0.3244
Echinococcus granulosus	serine protein kinase ATM	0.0088	0.0835	0.0771
Toxoplasma gondii	FATC domain-containing protein	0.0088	0.0835	0.6721
Trichomonas vaginalis	PIKK family atypical protein kinase	0.0106	0.1208	0.7193
Trypanosoma cruzi	hypothetical protein, conserved	0.0177	0.2721	0.8269
Brugia malayi	Cyclin, N-terminal domain containing protein	0.0293	0.5178	1
Trichomonas vaginalis	PIKK family atypical protein kinase	0.0081	0.0673	0.3812
Entamoeba histolytica	protein kinase, putative	0.0058	0.0194	0.1095
Schistosoma mansoni	phosphatidylinositol 3-and 4-kinase	0.0204	0.3291	1
Echinococcus granulosus	glycogen synthase kinase 3 beta	0.0058	0.0194	0.0126
Loa Loa (eye worm)	hypothetical protein	0.0068	0.0403	0.0695
Brugia malayi	Phosphatidylinositol 3- and 4-kinase family protein	0.0106	0.1208	0.2229
Leishmania major	cell division protein kinase 2,cdc2-related kinase	0.0052	0.007	0.0221
Loa Loa (eye worm)	CMGC/GSK protein kinase	0.0058	0.0194	0.0289
Giardia lamblia	Kinase, CMGC GSK	0.0058	0.0194	0.1095
Trypanosoma brucei	target of rapamycin kinase 3, putative	0.0106	0.1208	0.7193
Trichomonas vaginalis	PIKK family atypical protein kinase	0.0106	0.1208	0.7193
Trichomonas vaginalis	PIKK family atypical protein kinase	0.006	0.0229	0.1004
Trichomonas vaginalis	PIKK family atypical protein kinase	0.0106	0.1208	0.7193
Trichomonas vaginalis	PIKK family atypical protein kinase	0.0127	0.1653	1
Loa Loa (eye worm)	CMGC/GSK protein kinase	0.0058	0.0194	0.0289
Entamoeba histolytica	hypothetical protein	0.0088	0.0835	0.6721
Echinococcus granulosus	protein kinase shaggy	0.0058	0.0194	0.0126
Entamoeba histolytica	phosphatidylinositol3-kinaseTor2, putative	0.0106	0.1208	1
Trichomonas vaginalis	PIKK family atypical protein kinase	0.0106	0.1208	0.7193
Leishmania major	target of rapamycin kinase (TOR) kinase 3	0.0106	0.1208	0.3831
Trypanosoma brucei	Phosphatidylinositol 3-kinase tor1	0.0106	0.1208	0.7193
Trichomonas vaginalis	PIKK family atypical protein kinase	0.0106	0.1208	0.7193
Echinococcus granulosus	FKBP12 rapamycin complex associated protein	0.0106	0.1208	0.1147
Trypanosoma cruzi	phosphatidylinositol kinase related protein, putative	0.0088	0.0835	0.2537

Activities

Activity type	Activity value	Assay description	Source	Reference
Potency (functional)	= 31.6228 um	PUBCHEM_BIOASSAY: qHTS Assay for Modulators of Lamin A Splicing. (Class of assay: confirmatory)	ChEMBL.	No reference
Potency (binding)	= 35.4813 um	PUBCHEM_BIOASSAY: qHTS Assay for Identification of Novel General Anesthetics. In this assay, a GABAergic mimetic model system, apoferritin and a profluorescent 1-aminoanthracene ligand (1-AMA), was used to construct a competitive binding assay for identification of novel general anesthetics (Class of assay: confirmatory) [Related pubchem assays: 2385 (Probe Development Summary for Identification of Novel General Anesthetics), 2323 (Validation apoferritin assay run on SigmaAldrich LOPAC1280 collection)]	ChEMBL.	No reference
Potency (functional)	35.4813 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)	= 44.6684 um	PUBCHEM_BIOASSAY: qHTS Inhibitors of AmpC Beta-Lactamase (assay with detergent). (Class of assay: confirmatory) [Related pubchem assays: 1002 (Confirmation Concentration-Response Assay for Inhibitors of AmpC Beta-Lactamase (assay with detergent)), 585 (Promiscuous and Specific Inhibitors of AmpC Beta-Lactamase (assay without detergent) - a screen old NIH MLSMR collection), 584 (Promiscuous and Specific Inhibitors of AmpC Beta-Lactamase (assay with detergent) - a screen of the old NIH MLSMR collection), 1003 (Confirmation Cuvette-Based Assay for Inhibitors of AmpC Beta-Lactamase (assay with detergent))]	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: CHEMBL1576888

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 1433614