TDR Targets

Basic information

Technical information

TDR Targets ID: 1458424
Name: N-(2,4-dimethylphenyl)sulfonyl-5-(4-phenylphe nyl)furan-2-carboxamide
MW: 431.504 | Formula: C25H21NO4S
H donors: 1 H acceptors: 3 LogP: 5.74 Rotable bonds: 6
Rule of 5 violations (Lipinski): 1
SMILES: Cc1ccc(c(c1)C)S(=O)(=O)NC(=O)c1ccc(o1)c1ccc(cc1)c1ccccc1
InChi: 1S/C25H21NO4S/c1-17-8-15-24(18(2)16-17)31(28,29)26-25(27)23-14-13-22(30-23)21-11-9-20(10-12-21)19-6-4-3-5-7-19/h3-16H,1-2H3,(H,26,27)
InChiKey: YCKKDVRWNUMVGL-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

N-(2,4-dimethylphenyl)sulfonyl-5-(4-phenylphenyl)-2-furancarboxamide
N-(2,4-dimethylphenyl)sulfonyl-5-(4-phenylphenyl)-2-furamide
MLS000518268
KUC100040
SMR000129122

Targets

Known targets for this compound

Species	Target name	Source	Bibliographic reference
Homo sapiens	calcium channel, voltage-dependent, T type, alpha 1H subunit	Starlite/ChEMBL	No references
Homo sapiens	muscleblind-like splicing regulator 1	Starlite/ChEMBL	No references
Influenza A virus	Nonstructural protein 1	Starlite/ChEMBL	No references
Homo sapiens	geminin, DNA replication inhibitor	Starlite/ChEMBL	No references

Predicted pathogen targets for this compound

By orthology

Species	Potential target	Known druggable target/s	Ortholog Group
Loa Loa (eye worm)	hypothetical protein	Get druggable targets OG5_129328	All targets in OG5_129328
Echinococcus multilocularis	muscleblind protein	Get druggable targets OG5_132352	All targets in OG5_132352
Loa Loa (eye worm)	hypothetical protein	Get druggable targets OG5_132352	All targets in OG5_132352
Echinococcus granulosus	muscleblind protein	Get druggable targets OG5_132352	All targets in OG5_132352
Trichomonas vaginalis	conserved hypothetical protein	Get druggable targets OG5_129328	All targets in OG5_129328
Brugia malayi	Voltage-gated calcium channel, T-type, alpha subunit. C. elegans cca-1 ortholog	Get druggable targets OG5_129328	All targets in OG5_129328
Brugia malayi	Muscleblind-like protein	Get druggable targets OG5_132352	All targets in OG5_132352
Loa Loa (eye worm)	hypothetical protein	Get druggable targets OG5_132352	All targets in OG5_132352
Echinococcus multilocularis	muscleblind protein 1	Get druggable targets OG5_132352	All targets in OG5_132352

By sequence similarity to non orthologous known druggable targets

Species	Potential target	Known druggable target	Length	Alignment span	Identity
Brugia malayi	Hypothetical 65.5 kDa Trp-Asp repeats containing protein F02E8.5 inchromosome X	geminin, DNA replication inhibitor	209 aa	176 aa	27.8 %
Mycobacterium tuberculosis	Hypothetical protein	Nonstructural protein 1	230 aa	202 aa	23.8 %

Ranking Plot

Putative Targets List

Species	Potential target	Raw	Global	Species
Loa Loa (eye worm)	hypothetical protein	0.0049	0.1207	0.1338
Echinococcus granulosus	geminin	0.0205	0.8203	1
Giardia lamblia	Rrm3p helicase	0.014	0.5283	0.5
Echinococcus multilocularis	lysine specific demethylase 6a	0.0034	0.0526	0.0642
Brugia malayi	jmjC domain containing protein	0.0034	0.0526	0.0295
Brugia malayi	jmjC domain containing protein	0.0131	0.4889	0.55
Entamoeba histolytica	DNA repair and recombination protein, putative	0.014	0.5283	0.5
Echinococcus multilocularis	muscleblind protein 1	0.018	0.711	0.8668
Loa Loa (eye worm)	hypothetical protein	0.0045	0.0983	0.1078
Brugia malayi	Muscleblind-like protein	0.018	0.711	0.8149
Echinococcus multilocularis	JmjC domain containing protein 4	0.0034	0.0526	0.0642
Trypanosoma cruzi	DNA repair and recombination helicase protein PIF7, putative	0.014	0.5283	1
Schistosoma mansoni	hypothetical protein	0.0024	0.0055	0.0067
Toxoplasma gondii	histone lysine demethylase JMJD6a	0.0034	0.0526	1
Echinococcus multilocularis	ATP dependent DNA helicase PIF1	0.014	0.5283	0.6441
Schistosoma mansoni	histone-lysine n-methyltransferase suv9	0.0031	0.0365	0.0445
Echinococcus granulosus	JmjC domain containing protein 4	0.0034	0.0526	0.0642
Echinococcus granulosus	phd:f box containing protein	0.0034	0.0526	0.0642
Loa Loa (eye worm)	hypothetical protein	0.0051	0.1257	0.1397
Schistosoma mansoni	jumonji/arid domain-containing protein	0.0131	0.4889	0.596
Schistosoma mansoni	phosphatidylserine receptor	0.0034	0.0526	0.0642
Echinococcus granulosus	fetal alzheimer antigen falz	0.0026	0.0155	0.0189
Leishmania major	PIF1 helicase-like protein, putative,DNA repair and recombination protein, mitochondrial precursor, putative	0.014	0.5283	1
Trypanosoma cruzi	DNA repair and recombination helicase protein PIF6, putative	0.014	0.5283	1
Echinococcus multilocularis	fetal alzheimer antigen, falz	0.0026	0.0155	0.0189
Entamoeba histolytica	hypothetical protein, conserved	0.014	0.5283	0.5
Schistosoma mansoni	histone-lysine n-methyltransferase setb1	0.0051	0.1257	0.1533
Echinococcus granulosus	histone lysine methyltransferase setb	0.0051	0.1257	0.1533
Echinococcus granulosus	bromodomain adjacent to zinc finger domain	0.0042	0.0855	0.1043
Echinococcus multilocularis	phd:f box containing protein	0.0034	0.0526	0.0642
Echinococcus multilocularis	Transcription factor, JmjC domain containing protein	0.0129	0.4789	0.5839
Echinococcus granulosus	ATP dependent DNA helicase PIF1	0.014	0.5283	0.6441
Plasmodium falciparum	JmjC domain-containing protein, putative	0.0034	0.0526	0.5
Brugia malayi	jmjC domain containing protein	0.0034	0.0526	0.0295
Trichomonas vaginalis	set domain proteins, putative	0.0244	1	1
Echinococcus granulosus	jumonji domain containing 1A	0.0034	0.0526	0.0642
Loa Loa (eye worm)	hypothetical protein	0.0047	0.1107	0.1222
Loa Loa (eye worm)	hypothetical protein	0.0034	0.0526	0.0547
Loa Loa (eye worm)	jmjC domain-containing protein	0.0131	0.4889	0.5616
Echinococcus granulosus	muscleblind protein	0.018	0.711	0.8668
Schistosoma mansoni	bromodomain containing protein	0.0073	0.2286	0.2787
Loa Loa (eye worm)	hypothetical protein	0.0034	0.0526	0.0547
Schistosoma mansoni	hypothetical protein	0.0205	0.8203	1
Schistosoma mansoni	histone-lysine n-methyltransferase setb1	0.0051	0.1257	0.1533
Loa Loa (eye worm)	hypothetical protein	0.018	0.711	0.8197
Echinococcus granulosus	5'partial\|histone lysine N methyltransferase SETDB2	0.003	0.0314	0.0383
Echinococcus multilocularis	histone lysine methyltransferase setb histone lysine methyltransferase eggless	0.0051	0.1257	0.1533
Schistosoma mansoni	ubiquitously transcribed sex (X/Y) chromosome tetratricopeptide repeat protein-related	0.0034	0.0526	0.0642
Brugia malayi	Bromodomain containing protein	0.0044	0.0979	0.0835
Echinococcus granulosus	lysine specific demethylase 6a	0.0034	0.0526	0.0642
Leishmania major	PIF1 helicase-like protein, putative,DNA repair and recombination protein, mitochondrial precursor, putative	0.014	0.5283	1
Loa Loa (eye worm)	pre-SET domain-containing protein family protein	0.0215	0.8662	1
Brugia malayi	Voltage-gated calcium channel, T-type, alpha subunit. C. elegans cca-1 ortholog	0.0214	0.8634	0.9967
Loa Loa (eye worm)	jmjC domain-containing protein	0.0034	0.0526	0.0547
Echinococcus multilocularis	geminin	0.0205	0.8203	1
Echinococcus multilocularis	jumonji domain containing 1A	0.0034	0.0526	0.0642
Echinococcus multilocularis	bromodomain adjacent to zinc finger domain	0.0069	0.2099	0.2558
Echinococcus granulosus	Transcription factor JmjC domain containing protein	0.0129	0.4789	0.5839
Plasmodium vivax	JmjC domain containing protein	0.0034	0.0526	1
Schistosoma mansoni	protein phosphatase 2C	0.0034	0.0526	0.0642
Schistosoma mansoni	acetyl-CoA C-acetyltransferase	0.0026	0.0155	0.0189
Echinococcus multilocularis	Jumonji, AT rich interactive domain 1B	0.0037	0.0626	0.0763
Echinococcus multilocularis	histone lysine N methyltransferase SETMAR	0.0031	0.0365	0.0445
Brugia malayi	jmjC domain containing protein	0.0034	0.0526	0.0295
Brugia malayi	Pre-SET motif family protein	0.0215	0.8662	1
Toxoplasma gondii	histone lysine demethylase JMJC1/KDM5D/JARID1D	0.0034	0.0526	1
Schistosoma mansoni	hypothetical protein	0.014	0.5283	0.6441
Loa Loa (eye worm)	jmjC domain-containing protein	0.0034	0.0526	0.0547
Echinococcus multilocularis	lysine specific demethylase 5A	0.0129	0.4789	0.5839
Loa Loa (eye worm)	jmjC domain-containing protein	0.0034	0.0526	0.0547
Trypanosoma cruzi	DNA repair and recombination helicase protein PIF7, putative	0.014	0.5283	1
Schistosoma mansoni	jumonji/arid domain-containing protein	0.0131	0.4889	0.596
Echinococcus multilocularis	bromodomain adjacent to zinc finger domain	0.0042	0.0855	0.1043
Loa Loa (eye worm)	hypothetical protein	0.0214	0.8634	0.9968
Echinococcus multilocularis	muscleblind protein	0.018	0.711	0.8668
Trichomonas vaginalis	conserved hypothetical protein	0.0208	0.837	0.6544
Trypanosoma brucei	DNA repair and recombination helicase protein PIF6	0.014	0.5283	1
Echinococcus granulosus	lysine specific demethylase 5A	0.0131	0.4889	0.596
Echinococcus granulosus	Jumonji AT rich interactive domain 1B	0.0037	0.0626	0.0763
Schistosoma mansoni	phd/f-box containing protein	0.0034	0.0526	0.0642
Loa Loa (eye worm)	hypothetical protein	0.018	0.711	0.8197
Schistosoma mansoni	histone-lysine n-methyltransferase setb1	0.0031	0.0365	0.0445
Brugia malayi	Pre-SET motif family protein	0.0031	0.0365	0.0103
Schistosoma mansoni	jumonji domain containing protein	0.0034	0.0526	0.0642
Schistosoma mansoni	hypothetical protein	0.0205	0.8203	1
Brugia malayi	jmjC domain containing protein	0.0034	0.0526	0.0295
Brugia malayi	Bromodomain containing protein	0.0087	0.2899	0.3125
Loa Loa (eye worm)	hypothetical protein	0.0034	0.0526	0.0547
Trypanosoma brucei	DNA repair and recombination helicase protein PIF7	0.014	0.5283	1
Loa Loa (eye worm)	hypothetical protein	0.0082	0.2675	0.3044
Schistosoma mansoni	jumonji domain containing protein	0.0129	0.4789	0.5839
Brugia malayi	jmjC domain containing protein	0.0129	0.4789	0.538
Echinococcus granulosus	bromodomain adjacent to zinc finger domain	0.0069	0.2099	0.2558

Activities

Activity type	Activity value	Assay description	Source	Reference
EC50 (functional)	3.33 uM	PUBCHEM_BIOASSAY: Inhibitors of T-Type Calcium Channel. (Class of assay: confirmatory) [Related pubchem assays (depositor defined):AID449739, AID463087, AID493021, AID493022, AID493023, AID493041, AID504579, AID504584, AID504619, AID504628]	ChEMBL.	No reference
Potency (binding)	1.122 uM	PubChem BioAssay. qHTS Assay for Inhibitors of MBNL1-poly(CUG) RNA binding. (Class of assay: confirmatory)	ChEMBL.	No reference
Potency (functional)	2.0596 uM	PUBCHEM_BIOASSAY: qHTS for Inhibitors of binding or entry into cells for Lassa Virus. (Class of assay: confirmatory) [Related pubchem assays (depositor defined):AID463114, AID540249]	ChEMBL.	No reference
Potency (functional)	= 12.5893 um	PUBCHEM_BIOASSAY: qHTS Assay for Inhibitors of Influenza NS1 Protein Function. (Class of assay: confirmatory)	ChEMBL.	No reference
Potency (functional)	16.3601 uM	PubChem BioAssay. A quantitative high throughput screen for small molecules that induce DNA re-replication in MCF 10a normal breast cells. (Class of assay: confirmatory)	ChEMBL.	No reference
Potency (functional)	= 22.3872 um	PUBCHEM_BIOASSAY: qHTS Assay for Inhibitors of HPGD (15-Hydroxyprostaglandin Dehydrogenase). (Class of assay: confirmatory) [Related pubchem assays: 2429 (Confirmation qHTS Assay for Inhibitors of HPGD (15-Hydroxyprostaglandin Dehydrogenase)), 2407 (Probe Development Summary for Inhibitors of HPGD (15-Hydroxyprostaglandin Dehydrogenase)), 2427 (Thermal Shift Assay for Inhibitors of HPGD (15-Hydroxyprostaglandin Dehydrogenase))]	ChEMBL.	No reference
Potency (functional)	= 31.6228 um	PUBCHEM_BIOASSAY: qHTS Assay for Inhibitors of Human Jumonji Domain Containing 2E (JMJD2E). (Class of assay: confirmatory)	ChEMBL.	No reference
Potency (functional)	= 31.6228 um	PUBCHEM_BIOASSAY: qHTS Assay for Promiscuous and Specific Inhibitors of Cruzain (with detergent). (Class of assay: confirmatory) [Related pubchem assays: 2158 (Confirmation qHTS Assay for Inhibitors of Cruzain), 2249 (Probe Development Summary of Promiscuous Inhibitors (Artifacts) of Cruzain), 2161 (qHTS Assay for Inhibitors of Papain: Counterscreen for Cruzain Assay), 1476 (qHTS Assay for Promiscuous and Specific Inhibitors of Cruzain (without detergent))]	ChEMBL.	No reference
Potency (functional)	= 35.4813 um	PUBCHEM_BIOASSAY: qHTS Assay for Inhibitors of Aldehyde Dehydrogenase 1 (ALDH1A1). (Class of assay: confirmatory) [Related pubchem assays: 1030 (qHTS Validation Assay for Inhibitors of aldehyde dehydrogenase 1 (ALDH1A1))]	ChEMBL.	No reference
Potency (functional)	= 35.4813 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
Potency (functional)	35.4813 uM	PUBCHEM_BIOASSAY: qHTS Assay for Inhibitors of GCN5L2. (Class of assay: confirmatory) [Related pubchem assays (depositor defined):AID504398]	ChEMBL.	No reference
Potency (functional)	= 39.8107 um	PUBCHEM_BIOASSAY: qHTS Assay for Inhibitors of Human alpha-Glucosidase as a Potential Chaperone Treatment of Pompe Disease. (Class of assay: confirmatory) [Related pubchem assays: 997 ]	ChEMBL.	No reference
Potency (functional)	= 39.8107 um	PUBCHEM_BIOASSAY: qHTS Assay for Activators of Human alpha-Glucosidase as a Potential Chaperone Treatment of Pompe Disease. (Class of assay: confirmatory) [Related pubchem assays: 1467, 2100, 2112, 1473, 1466 ]	ChEMBL.	No reference
Potency (functional)	39.8107 uM	PUBCHEM_BIOASSAY: qHTS Assay for Inhibitors of Histone Lysine Methyltransferase G9a. (Class of assay: confirmatory) [Related pubchem assays (depositor defined):AID504404]	ChEMBL.	No reference
Potency (functional)	44.6684 uM	PUBCHEM_BIOASSAY: qHTS Assay for Inhibitors of BAZ2B. (Class of assay: confirmatory) [Related pubchem assays (depositor defined):AID504391]	ChEMBL.	No reference
Potency (functional)	= 56.2341 um	PUBCHEM_BIOASSAY: qHTS Assay for Inhibitors of DNA Polymerase Beta. (Class of assay: confirmatory)	ChEMBL.	No reference

Phenotypes

Whole-cell/tissue/organism interactions

Species name	Source	Reference	Is orphan
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: CHEMBL1301922

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 1458424