TDR Targets

Basic information

Technical information

TDR Targets ID: 1586178
Name: 4-(dimethylsulfamoyl)-N-(1,1-dioxo-2,3-dihydr othiophen-3-yl)-N-(4-methylphenyl)benzamide
MW: 434.529 | Formula: C20H22N2O5S2
H donors: 0 H acceptors: 5 LogP: 1.87 Rotable bonds: 6
Rule of 5 violations (Lipinski): 1
SMILES: Cc1ccc(cc1)N(C(=O)c1ccc(cc1)S(=O)(=O)N(C)C)C1C=CS(=O)(=O)C1
InChi: 1S/C20H22N2O5S2/c1-15-4-8-17(9-5-15)22(18-12-13-28(24,25)14-18)20(23)16-6-10-19(11-7-16)29(26,27)21(2)3/h4-13,18H,14H2,1-3H3
InChiKey: KMPYEKVRJXMINE-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-(1,1-diketo-2,3-dihydrothiophen-3-yl)-4-(dimethylsulfamoyl)-N-(4-methylphenyl)benzamide
MLS000680434
SMR000324585

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	cyclin A, putative	0.0048	0.009	1
Giardia lamblia	G2/mitotic-specific cyclin B	0.0048	0.009	1
Mycobacterium tuberculosis	3-dehydroquinate dehydratase AroD (AROQ) (3-dehydroquinase) (type II dhqase)	0.1166	0.6897	0.5
Brugia malayi	Cyclin, N-terminal domain containing protein	0.0048	0.009	0.009
Echinococcus multilocularis	cadherin EGF LAG seven pass G type receptor	0.0154	0.0731	0.0917
Echinococcus granulosus	5'partial\|cyclin dependent kinase 1	0.0042	0.0054	0.0068
Trypanosoma cruzi	cyclin 6, putative	0.0048	0.009	1
Echinococcus multilocularis	cyclin B	0.0048	0.009	0.0112
Schistosoma mansoni	cyclin B	0.0048	0.009	0.0494
Schistosoma mansoni	hypothetical protein	0.0154	0.0731	0.4027
Echinococcus multilocularis	diuretic hormone 44 receptor GPRdih2	0.1344	0.798	1
Trichomonas vaginalis	cyclin B, putative	0.0048	0.009	1
Trichomonas vaginalis	cyclin B, putative	0.0048	0.009	1
Toxoplasma gondii	cell-cycle-associated protein kinase CDK, putative	0.0042	0.0054	0.5
Leishmania major	CYC2-like cyclin, putative,cyclin 6, putative	0.0048	0.009	1
Mycobacterium leprae	3-dehydroquinate dehydratase AroD (AroQ) (3-dehydroquinase) (Type II DHQase)	0.1166	0.6897	0.5
Brugia malayi	cell division control protein 2 homolog	0.0042	0.0054	0.0054
Loa Loa (eye worm)	CMGC/CDK/CDC2 protein kinase	0.0042	0.0054	0.0054
Plasmodium falciparum	protein kinase 5	0.0042	0.0054	0.5
Trypanosoma cruzi	CYC2-like cyclin, putative	0.0048	0.009	1
Trichomonas vaginalis	cyclins, putative	0.0048	0.009	1
Loa Loa (eye worm)	pigment dispersing factor receptor c	0.0485	0.2751	0.2751
Brugia malayi	calcium-independent alpha-latrotoxin receptor 2, putative	0.0154	0.0731	0.0731
Brugia malayi	latrophilin 2 splice variant baaae	0.0332	0.1816	0.1816
Trichomonas vaginalis	cyclins, putative	0.0048	0.009	1
Echinococcus granulosus	cyclin dependent kinase 1	0.0042	0.0054	0.0068
Trichomonas vaginalis	cyclins, putative	0.0048	0.009	1
Loa Loa (eye worm)	hypothetical protein	0.0041	0.0048	0.0048
Leishmania major	cyclin	0.0048	0.009	1
Brugia malayi	Calcitonin receptor-like protein seb-1	0.0485	0.2751	0.2751
Schistosoma mansoni	serine/threonine protein kinase	0.0042	0.0054	0.0297
Schistosoma mansoni	hypothetical protein	0.0154	0.0731	0.4027
Brugia malayi	Latrophilin receptor protein 2	0.0154	0.0731	0.0731
Plasmodium vivax	protein kinase Crk2	0.0042	0.0054	0.5
Trichomonas vaginalis	cyclins, putative	0.0048	0.009	1
Loa Loa (eye worm)	hypothetical protein	0.0048	0.009	0.009
Loa Loa (eye worm)	latrophilin receptor protein 2	0.0154	0.0731	0.0731
Schistosoma mansoni	hypothetical protein	0.0332	0.1816	1
Trypanosoma cruzi	cyclin, putative	0.0048	0.009	1
Echinococcus granulosus	cyclin dependent kinase	0.0042	0.0054	0.0068
Echinococcus multilocularis	GPCR, family 2	0.0154	0.0731	0.0917
Trypanosoma brucei	mitotic cyclin 6	0.0048	0.009	1
Brugia malayi	Cyclin, N-terminal domain containing protein	0.0048	0.009	0.009
Loa Loa (eye worm)	hypothetical protein	0.0332	0.1816	0.1816
Echinococcus granulosus	GPCR family 2	0.0154	0.0731	0.0917
Trichomonas vaginalis	cyclin B, putative	0.0048	0.009	1
Echinococcus granulosus	diuretic hormone 44 receptor GPRdih2	0.1344	0.798	1
Schistosoma mansoni	hypothetical protein	0.0154	0.0731	0.4027
Brugia malayi	Protein kinase domain containing protein	0.0042	0.0054	0.0054
Echinococcus granulosus	cyclin B	0.0048	0.009	0.0112
Echinococcus multilocularis	cyclin dependent kinase	0.0042	0.0054	0.0068
Schistosoma mansoni	serine/threonine protein kinase	0.0042	0.0054	0.0297
Onchocerca volvulus		0.0048	0.009	1
Loa Loa (eye worm)	hypothetical protein	0.0048	0.009	0.009
Echinococcus granulosus	cadherin EGF LAG seven pass G type receptor	0.0154	0.0731	0.0917
Trichomonas vaginalis	cyclin B, putative	0.0048	0.009	1
Trypanosoma cruzi	cyclin, putative	0.0048	0.009	1
Schistosoma mansoni	hypothetical protein	0.0154	0.0731	0.4027
Echinococcus granulosus	cyclin dependent kinase 5	0.0042	0.0054	0.0068
Echinococcus multilocularis	cyclin dependent kinase 1	0.0042	0.0054	0.0068
Loa Loa (eye worm)	CMGC/CDK/CDK5 protein kinase	0.0042	0.0054	0.0054
Mycobacterium ulcerans	3-dehydroquinate dehydratase	0.1166	0.6897	0.5
Echinococcus multilocularis	cyclin dependent kinase 5	0.0042	0.0054	0.0068
Loa Loa (eye worm)	CMGC/CDK/CDC2 protein kinase	0.0042	0.0054	0.0054
Loa Loa (eye worm)	hypothetical protein	0.1675	1	1
Loa Loa (eye worm)	hypothetical protein	0.0154	0.0731	0.0731
Entamoeba histolytica	cyclin, putative	0.0048	0.009	1
Echinococcus multilocularis	cyclin dependent kinase 1	0.0042	0.0054	0.0068

Activities

Activity type	Activity value	Assay description	Source	Reference
Potency (functional)	2.0787 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)	2.8184 uM	PUBCHEM_BIOASSAY: qHTS for Inhibitors of TGF-b: Cytotox Counterscreen. (Class of assay: confirmatory) [Related pubchem assays (depositor defined):AID588855, AID588860]	ChEMBL.	No reference
Potency (functional)	50.1187 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

Phenotypes

Whole-cell/tissue/organism interactions

Species name	Source	Reference	Is orphan
Plasmodium falciparum	ChEMBL23
Homo sapiens	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: CHEMBL1885838

Bibliographic References

No literature references available for this target.

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Detailed information for compound 1586178