TDR Targets

Basic information

Technical information

TDR Targets ID: 1295304
Name: 6,8-dimethyl-4-oxo-N-[2-(4-sulfamoylphenyl)et hyl]chromene-2-carboxamide
MW: 400.448 | Formula: C20H20N2O5S
H donors: 2 H acceptors: 4 LogP: 2.28 Rotable bonds: 6
Rule of 5 violations (Lipinski): 1
SMILES: Cc1cc(C)c2c(c1)c(=O)cc(o2)C(=O)NCCc1ccc(cc1)S(=O)(=O)N
InChi: 1S/C20H20N2O5S/c1-12-9-13(2)19-16(10-12)17(23)11-18(27-19)20(24)22-8-7-14-3-5-15(6-4-14)28(21,25)26/h3-6,9-11H,7-8H2,1-2H3,(H,22,24)(H2,21,25,26)
InChiKey: FEZJCCKEOHLLFS-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

6,8-dimethyl-4-oxo-N-[2-(4-sulfamoylphenyl)ethyl]-2-chromenecarboxamide
4-keto-6,8-dimethyl-N-[2-(4-sulfamoylphenyl)ethyl]chromene-2-carboxamide
6,8-Dimethyl-4-oxo-4H-chromene-2-carboxylic acid [2-(4-sulfamoyl-phenyl)-ethyl]-amide
MLS000779188
SMR000415881
D103-1730
NCGC00115920-01
ZINC02339185
STOCK5S-51542

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
Brugia malayi	CHD4 protein	0.0011	0.0317	0.025
Loa Loa (eye worm)	hypothetical protein	0.003	0.1275	0.1867
Loa Loa (eye worm)	CHromoDomain protein family member	0.0011	0.0317	0.0135
Brugia malayi	Isocitrate dehydrogenase	0.0015	0.0536	0.0986
Trichomonas vaginalis	DNA helicase recq, putative	0.0023	0.0946	0.2163
Entamoeba histolytica	chromodomain-helicase-DNA-binding protein, putative	0.0011	0.0317	0.8171
Echinococcus granulosus	chromodomain helicase DNA binding protein 4	0.0011	0.0317	0.0076
Entamoeba histolytica	hypothetical protein	0.0011	0.0317	0.8171
Leishmania major	isocitrate dehydrogenase [NADP], mitochondrial precursor, putative	0.0015	0.0536	1
Plasmodium falciparum	isocitrate dehydrogenase [NADP], mitochondrial	0.0015	0.0536	0.5268
Loa Loa (eye worm)	isocitrate dehydrogenase	0.0015	0.0536	0.0531
Entamoeba histolytica	chromodomain-helicase-DNA-binding protein, putative	0.0011	0.0317	0.8171
Schistosoma mansoni	chromodomain helicase DNA binding protein	0.0011	0.0317	0.0076
Trichomonas vaginalis	chromodomain helicase DNA binding protein, putative	0.0011	0.0317	0.00000000070125
Schistosoma mansoni	hypothetical protein	0.004	0.181	0.1606
Trichomonas vaginalis	chromodomain-helicase-DNA-binding protein, putative	0.0011	0.0317	0.00000000070125
Echinococcus granulosus	chromodomain helicase DNA binding protein 1	0.0011	0.0317	0.0076
Schistosoma mansoni	hypothetical protein	0.0019	0.0702	0.0471
Trichomonas vaginalis	DNA helicase recq1, putative	0.0023	0.0946	0.2163
Trichomonas vaginalis	chromodomain-helicase-DNA-binding protein, putative	0.0011	0.0317	0.00000000070125
Giardia lamblia	Sgs1 DNA helicase, putative	0.001	0.0242	0.5
Entamoeba histolytica	hypothetical protein	0.0011	0.0317	0.8171
Brugia malayi	calcium-independent alpha-latrotoxin receptor 2, putative	0.0019	0.0702	0.1543
Schistosoma mansoni	chromobox protein-related (chromobox 1) (heterochromatin 1)	0.0011	0.0317	0.0076
Trichomonas vaginalis	chromodomain-helicase-DNA-binding protein, putative	0.0011	0.0317	0.00000000070125
Schistosoma mansoni	chromodomain helicase DNA binding protein	0.0011	0.0317	0.0076
Loa Loa (eye worm)	hypothetical protein	0.004	0.181	0.2832
Plasmodium falciparum	ADP-dependent DNA helicase RecQ	0.0021	0.08	1
Loa Loa (eye worm)	hypothetical protein	0.0118	0.5777	1
Trichomonas vaginalis	chromodomain helicase DNA binding protein, putative	0.0011	0.0317	0.00000000070125
Schistosoma mansoni	chromobox protein	0.0011	0.0317	0.0076
Entamoeba histolytica	recQ family helicase, putative	0.0013	0.0388	1
Trichomonas vaginalis	chromodomain-helicase-DNA-binding protein, putative	0.0011	0.0317	0.00000000070125
Echinococcus granulosus	chromobox protein 1	0.0068	0.3224	0.3056
Onchocerca volvulus		0.003	0.1275	0.6276
Trichomonas vaginalis	conserved hypothetical protein	0.0038	0.1696	0.4746
Loa Loa (eye worm)	hypothetical protein	0.0038	0.1696	0.2627
Toxoplasma gondii	ATP-dependent DNA helicase, RecQ family protein	0.001	0.0242	0.4422
Schistosoma mansoni	chromobox protein	0.0068	0.3224	0.3056
Toxoplasma gondii	chromodomain helicase DNA binding protein CHD1/SWI2/SNF2	0.0011	0.0317	0.5781
Toxoplasma gondii	isocitrate dehydrogenase	0.0015	0.0536	0.9781
Toxoplasma gondii	ATP-dependent DNA helicase, RecQ family protein	0.0016	0.0548	1
Schistosoma mansoni	blooms syndrome DNA helicase	0.0019	0.0694	0.0462
Brugia malayi	Calcitonin receptor-like protein seb-1	0.0059	0.2764	0.8458
Echinococcus multilocularis	chromodomain helicase DNA binding protein 4	0.0011	0.0317	0.0076
Entamoeba histolytica	hypothetical protein	0.0011	0.0317	0.8171
Loa Loa (eye worm)	hypothetical protein	0.0011	0.0317	0.0135
Echinococcus multilocularis	bloom syndrome protein	0.0023	0.0946	0.0721
Brugia malayi	Associated with TFs and helicases family protein	0.0011	0.0317	0.025
Trichomonas vaginalis	chromodomain helicase DNA binding protein, putative	0.0011	0.0317	0.00000000070125
Echinococcus granulosus	cadherin EGF LAG seven pass G type receptor	0.0019	0.0702	0.0471
Echinococcus granulosus	bloom syndrome protein	0.0023	0.0946	0.0721
Loa Loa (eye worm)	hypothetical protein	0.0059	0.2764	0.4557
Loa Loa (eye worm)	heterochromatin protein 1	0.0068	0.3224	0.5387
Brugia malayi	Bloom's syndrome protein homolog	0.0023	0.0946	0.2359
Onchocerca volvulus	Heterochromatin protein 1 homolog	0.0041	0.1844	1
Entamoeba histolytica	chromodomain-helicase-DNA-binding protein, putative	0.0011	0.0317	0.8171
Trichomonas vaginalis	conserved hypothetical protein	0.0027	0.1128	0.2789
Trichomonas vaginalis	chromodomain helicase DNA binding protein, putative	0.0011	0.0317	0.00000000070125
Schistosoma mansoni	chromobox protein	0.0011	0.0317	0.0076
Toxoplasma gondii	'chromo' (CHRromatin Organization MOdifier) domain-containing protein	0.0011	0.0317	0.5781
Trichomonas vaginalis	chromodomain helicase DNA binding protein, putative	0.0011	0.0317	0.00000000070125
Echinococcus multilocularis	NADP dependent isocitrate dehydrogenase	0.0015	0.0536	0.0301
Loa Loa (eye worm)	hypothetical protein	0.0011	0.0317	0.0135
Loa Loa (eye worm)	hypothetical protein	0.0011	0.0317	0.0135
Schistosoma mansoni	NADP-specific isocitrate dehydrogenase	0.0015	0.0536	0.0301
Trichomonas vaginalis	chromobox protein, putative	0.0041	0.1844	0.5254
Echinococcus granulosus	diuretic hormone 44 receptor GPRdih2	0.0019	0.0702	0.0471
Trypanosoma brucei	isocitrate dehydrogenase, putative	0.0015	0.0536	1
Plasmodium vivax	hypothetical protein, conserved	0.0011	0.0317	0.0000000084622
Brugia malayi	Heterochromatin protein 1	0.0068	0.3224	1
Mycobacterium tuberculosis	Probable isocitrate dehydrogenase [NADP] Icd1 (oxalosuccinate decarboxylase) (IDH) (NADP+-specific ICDH) (IDP)	0.0015	0.0536	0.5
Echinococcus granulosus	NADP dependent isocitrate dehydrogenase	0.0015	0.0536	0.0301
Brugia malayi	SET domain containing protein	0.0011	0.0317	0.025
Echinococcus granulosus	chromobox protein 2	0.0011	0.0317	0.0076
Brugia malayi	Type III restriction enzyme, res subunit family protein	0.0011	0.0317	0.025
Trypanosoma brucei	isocitrate dehydrogenase [NADP], mitochondrial precursor, putative	0.0015	0.0536	1
Schistosoma mansoni	hypothetical protein	0.0019	0.0702	0.0471
Brugia malayi	Valyl-tRNA synthetase	0.0011	0.0317	0.025
Trichomonas vaginalis	DNA helicase recq, putative	0.0013	0.0388	0.0244
Echinococcus multilocularis	chromodomain helicase DNA binding protein 1	0.0011	0.0317	0.0076
Plasmodium vivax	isocitrate dehydrogenase [NADP], mitochondrial, putative	0.0015	0.0536	0.9104
Schistosoma mansoni	hypothetical protein	0.0019	0.0702	0.0471
Trichomonas vaginalis	chromobox protein, putative	0.0068	0.3224	1
Brugia malayi	Latrophilin receptor protein 2	0.0019	0.0702	0.1543
Echinococcus granulosus	chromobox protein 1	0.0068	0.3224	0.3056
Echinococcus multilocularis	Chromobox protein 3	0.0011	0.0317	0.0076
Loa Loa (eye worm)	latrophilin receptor protein 2	0.0019	0.0702	0.0831
Schistosoma mansoni	chromobox protein	0.0068	0.3224	0.3056
Echinococcus multilocularis	chromobox protein 2	0.0011	0.0317	0.0076
Trichomonas vaginalis	conserved hypothetical protein	0.0027	0.1128	0.2789
Trichomonas vaginalis	chromodomain helicase DNA binding protein, putative	0.0011	0.0317	0.00000000070125
Toxoplasma gondii	ATP-dependent DNA helicase, RecQ family protein	0.001	0.0242	0.4422
Loa Loa (eye worm)	hypothetical protein	0.0011	0.0317	0.0135
Echinococcus multilocularis	Chromo domain	0.0011	0.0317	0.0076
Trichomonas vaginalis	chromodomain-helicase-DNA-binding protein, putative	0.0011	0.0317	0.00000000070125
Toxoplasma gondii	'chromo' (CHRromatin Organization MOdifier) domain-containing protein	0.0011	0.0317	0.5781
Trypanosoma cruzi	isocitrate dehydrogenase [NADP], mitochondrial precursor, putative	0.0015	0.0536	1
Loa Loa (eye worm)	helicase	0.0011	0.0317	0.0135
Schistosoma mansoni	chromobox protein-related (chromobox 1) (heterochromatin 1)	0.0011	0.0317	0.0076
Brugia malayi	hypothetical protein	0.0011	0.0317	0.025
Loa Loa (eye worm)	RecQ helicase	0.0023	0.0946	0.1271
Trichomonas vaginalis	chromodomain helicase DNA binding protein, putative	0.0011	0.0317	0.00000000070125
Echinococcus multilocularis	GPCR, family 2	0.0019	0.0702	0.0471
Plasmodium falciparum	heterochromatin protein 1	0.0011	0.0317	0.1336
Plasmodium vivax	ADP-dependent DNA helicase RecQ, putative	0.0016	0.0558	1
Echinococcus multilocularis	isocitrate dehydrogenase	0.0015	0.0536	0.0301
Brugia malayi	M-phase phosphoprotein, mpp8	0.0011	0.0317	0.025
Loa Loa (eye worm)	hypothetical protein	0.0011	0.0317	0.0135
Trichomonas vaginalis	chromobox protein, putative	0.0068	0.3224	1
Brugia malayi	latrophilin 2 splice variant baaae	0.004	0.181	0.5257
Echinococcus multilocularis	isocitrate dehydrogenase 2 (NADP+)	0.0015	0.0536	0.0301
Loa Loa (eye worm)	hypothetical protein	0.0011	0.0317	0.0135
Echinococcus multilocularis	cadherin EGF LAG seven pass G type receptor	0.0019	0.0702	0.0471
Echinococcus multilocularis	NADP dependent isocitrate dehydrogenase	0.0015	0.0536	0.0301
Echinococcus multilocularis	chromobox protein 1	0.0068	0.3224	0.3056
Loa Loa (eye worm)	hypothetical protein	0.0011	0.0317	0.0135
Brugia malayi	Corticotropin releasing factor receptor 2 precursor, putative	0.0059	0.2764	0.8458
Trichomonas vaginalis	chromodomain helicase DNA binding protein, putative	0.0011	0.0317	0.00000000070125
Brugia malayi	isocitrate dehydrogenase	0.0015	0.0536	0.0986
Echinococcus multilocularis	diuretic hormone 44 receptor GPRdih2	0.0019	0.0702	0.0471
Brugia malayi	Protein cec-1.	0.0011	0.0317	0.025
Plasmodium falciparum	conserved Plasmodium protein, unknown function	0.0011	0.0317	0.1336
Trichomonas vaginalis	chromobox protein, putative	0.0041	0.1844	0.5254
Brugia malayi	chromobox protein homolog 3	0.0038	0.1696	0.4877
Trichomonas vaginalis	conserved hypothetical protein	0.0038	0.1696	0.4746
Loa Loa (eye worm)	hypothetical protein	0.0019	0.0702	0.0831
Echinococcus granulosus	Chromobox protein 3	0.0011	0.0317	0.0076
Schistosoma mansoni	hypothetical protein	0.0019	0.0702	0.0471
Schistosoma mansoni	histone-lysine n-methyltransferase suv9	0.0011	0.0317	0.0076
Loa Loa (eye worm)	pigment dispersing factor receptor c	0.0059	0.2764	0.4557
Echinococcus granulosus	Chromo domain	0.0011	0.0317	0.0076
Plasmodium falciparum	chromodomain-helicase-DNA-binding protein 1 homolog, putative	0.0011	0.0317	0.1336
Onchocerca volvulus	Heterochromatin protein 1 homolog	0.0038	0.1696	0.9031
Schistosoma mansoni	hypothetical protein	0.0011	0.0317	0.0076
Echinococcus multilocularis	chromobox protein 1	0.0068	0.3224	0.3056
Trypanosoma cruzi	isocitrate dehydrogenase, putative	0.0015	0.0536	1
Echinococcus multilocularis	NADP dependent isocitrate dehydrogenase	0.0015	0.0536	0.0301
Echinococcus granulosus	GPCR family 2	0.0019	0.0702	0.0471
Toxoplasma gondii	isocitrate dehydrogenase	0.0015	0.0536	0.9781

Activities

Activity type	Activity value	Assay description	Source	Reference
Potency (functional)	13.1154 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)	15.8489 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)	= 35.4813 um	PUBCHEM_BIOASSAY: qHTS Assay for Agonists of the Relaxin Receptor RXFP1. (Class of assay: confirmatory)	ChEMBL.	No reference
Potency (functional)	67.4555 uM	PubChem BioAssay. qHTS Assay to Find Inhibitors of Pin1. (Class of assay: confirmatory)	ChEMBL.	No reference
Potency (functional)	89.1251 uM	PUBCHEM_BIOASSAY: qHTS for Inhibitors of Polymerase Iota. (Class of assay: confirmatory) [Related pubchem assays (depositor defined):AID588623]	ChEMBL.	No reference

Phenotypes

Whole-cell/tissue/organism interactions

Species name	Source	Reference	Is orphan
Homo sapiens	ChEMBL23
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: CHEMBL1412873

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 1295304