TDR Targets

Basic information

Technical information

TDR Targets ID: 1405904
Name: N-[4-[furan-2-ylmethyl-[(2-oxo-1H-quinolin-3- yl)methyl]sulfamoyl]phenyl]acetamide
MW: 451.495 | Formula: C23H21N3O5S
H donors: 2 H acceptors: 5 LogP: 2.58 Rotable bonds: 8
Rule of 5 violations (Lipinski): 1
SMILES: CC(=O)Nc1ccc(cc1)S(=O)(=O)N(Cc1cc2ccccc2nc1O)Cc1ccco1
InChi: 1S/C23H21N3O5S/c1-16(27)24-19-8-10-21(11-9-19)32(29,30)26(15-20-6-4-12-31-20)14-18-13-17-5-2-3-7-22(17)25-23(18)28/h2-13H,14-15H2,1H3,(H,24,27)(H,25,28)
InChiKey: WPILDJWHEKXTFR-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-[2-furylmethyl-[(2-oxo-1H-quinolin-3-yl)methyl]sulfamoyl]phenyl]acetamide
N-[4-[2-furylmethyl-[(2-keto-1H-quinolin-3-yl)methyl]sulfamoyl]phenyl]acetamide
N-[4-[furan-2-ylmethyl-[(2-oxo-1H-quinolin-3-yl)methyl]sulfamoyl]phenyl]ethanamide
STOCK5S-74935

Targets

Known targets for this compound

Species	Target name	Source	Bibliographic reference
Homo sapiens	adrenoceptor beta 2, surface	Starlite/ChEMBL	No references
Mus musculus	RAR-related orphan receptor gamma	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

No druggable targets predicted by sequence similarity

Ranking Plot

Putative Targets List

Species	Potential target	Raw	Global	Species
Echinococcus granulosus	glycine receptor subunit beta	0.0055	0.0114	0.0598
Onchocerca volvulus		0.0055	0.0114	0.0598
Loa Loa (eye worm)	ACC-1 protein	0.0055	0.0114	0.0598
Echinococcus multilocularis	glycine receptor subunit alpha 1	0.0055	0.0114	0.0598
Echinococcus multilocularis	acetylcholine receptor subunit beta 1	0.0055	0.0114	0.0598
Loa Loa (eye worm)	hypothetical protein	0.003	0.0016	0.0086
Schistosoma mansoni	Cys-loop ligand gated ion channel subunit	0.0055	0.0114	0.0598
Loa Loa (eye worm)	acetylcholine receptor alpha subunit	0.0055	0.0114	0.0598
Schistosoma mansoni	nAChR subunit	0.0055	0.0114	0.0598
Brugia malayi	Neurotransmitter-gated ion-channel ligand binding domain containing protein	0.0055	0.0114	0.0598
Loa Loa (eye worm)	hypothetical protein	0.0055	0.0114	0.0598
Loa Loa (eye worm)	hypothetical protein	0.003	0.0016	0.0086
Loa Loa (eye worm)	hypothetical protein	0.003	0.0016	0.0086
Echinococcus granulosus	nicotinic acetylcholine receptor alpha subunit	0.0055	0.0114	0.0598
Loa Loa (eye worm)	hypothetical protein	0.003	0.0016	0.0086
Echinococcus multilocularis	nicotinic acetylcholine receptor a11 subunit	0.0055	0.0114	0.0598
Loa Loa (eye worm)	hypothetical protein	0.0523	0.191	1
Brugia malayi	gamma-aminobutyric-acid receptor beta subunit precursor	0.0055	0.0114	0.0598
Brugia malayi	Hypothetical glycine receptor like protein T20B12.9 in chromosome III	0.003	0.0016	0.0086
Loa Loa (eye worm)	hypothetical protein	0.0055	0.0114	0.0598
Loa Loa (eye worm)	hypothetical protein	0.0055	0.0114	0.0598
Schistosoma mansoni	nAChR subunit	0.0055	0.0114	0.0598
Schistosoma mansoni	nAChR subunit (ShAR1-alpha-like)	0.0055	0.0114	0.0598
Loa Loa (eye worm)	hypothetical protein	0.0055	0.0114	0.0598
Loa Loa (eye worm)	hypothetical protein	0.003	0.0016	0.0086
Schistosoma mansoni	nAChR subunit (ShAR1-beta2-like)	0.0055	0.0114	0.0598
Brugia malayi	Neurotransmitter-gated ion-channel ligand binding domain containing protein	0.0055	0.0114	0.0598
Brugia malayi	Neurotransmitter-gated ion-channel ligand binding domain containing protein	0.0055	0.0114	0.0598
Onchocerca volvulus		0.0523	0.191	1
Loa Loa (eye worm)	LGC-31 protein	0.0055	0.0114	0.0598
Loa Loa (eye worm)	hypothetical protein	0.0055	0.0114	0.0598
Echinococcus multilocularis	nAChR subunit	0.003	0.0016	0.0086
Brugia malayi	Cation transporter family protein	0.0055	0.0114	0.0598
Brugia malayi	hypothetical protein	0.0211	0.0713	0.3732
Schistosoma mansoni	neurotransmitter gated ion channel	0.003	0.0016	0.0086
Loa Loa (eye worm)	hypothetical protein	0.0055	0.0114	0.0598
Echinococcus granulosus	glycine receptor subunit alpha 1	0.0055	0.0114	0.0598
Schistosoma mansoni	Cys-loop ligand gated ion channel subunit	0.003	0.0016	0.0086
Brugia malayi	TspO/MBR family protein	0.0523	0.191	1
Brugia malayi	Neurotransmitter-gated ion-channel ligand binding domain containing protein	0.0055	0.0114	0.0598
Onchocerca volvulus		0.0055	0.0114	0.0598
Brugia malayi	acetylcholine receptor alpha subunit precursor, putative	0.0055	0.0114	0.0598
Loa Loa (eye worm)	hypothetical protein	0.0055	0.0114	0.0598
Loa Loa (eye worm)	hypothetical protein	0.0523	0.191	1
Echinococcus multilocularis	nicotinic acetylcholine receptor beta 1 subunit	0.0055	0.0114	0.0598
Onchocerca volvulus		0.0055	0.0114	0.0598
Brugia malayi	Neurotransmitter-gated ion-channel transmembrane region family protein	0.0055	0.0114	0.0598
Brugia malayi	excitatory GABA receptor EXP-1A	0.0055	0.0114	0.0598
Echinococcus granulosus	nicotinic acetylcholine receptor subunit type	0.0055	0.0114	0.0598
Loa Loa (eye worm)	hypothetical protein	0.003	0.0016	0.0086
Schistosoma mansoni	Cys-loop ligand gated ion channel subunit	0.0055	0.0114	0.0598
Echinococcus granulosus	acetylcholine receptor subunit beta 1	0.0055	0.0114	0.0598
Schistosoma mansoni	nicotinic acetylcholine receptor alpha	0.003	0.0016	0.0086
Brugia malayi	nicotinic acetylcholine receptor alpha subunit, putative	0.0055	0.0114	0.0598
Loa Loa (eye worm)	nicotinic acetylcholine receptor non-alpha subunit	0.0055	0.0114	0.0598
Echinococcus granulosus	glycine receptor subunit alpha 1	0.0055	0.0114	0.0598
Echinococcus granulosus	nAChR subunit	0.0055	0.0114	0.0598
Brugia malayi	Neurotransmitter-gated ion-channel transmembrane region family protein	0.003	0.0016	0.0086
Schistosoma mansoni	nAChR subunit (ShAR1-beta-like)	0.0055	0.0114	0.0598
Brugia malayi	Neurotransmitter-gated ion-channel ligand binding domain containing protein	0.0055	0.0114	0.0598
Onchocerca volvulus		0.0523	0.191	1
Brugia malayi	glutamate-gated chloride channel alpha3A subunit, putative	0.003	0.0016	0.0086
Loa Loa (eye worm)	hypothetical protein	0.0055	0.0114	0.0598
Echinococcus granulosus	neuronal acetylcholine receptor subunit alpha 4	0.0055	0.0114	0.0598
Echinococcus multilocularis	glycine receptor subunit alpha 1	0.0055	0.0114	0.0598
Echinococcus granulosus	translocator protein	0.0523	0.191	1
Loa Loa (eye worm)	hypothetical protein	0.0055	0.0114	0.0598
Schistosoma mansoni	peripheral-type benzodiazepine receptor	0.0523	0.191	1
Echinococcus multilocularis	glycine receptor subunit beta	0.0055	0.0114	0.0598
Loa Loa (eye worm)	nicotinic acetylcholine receptor alpha subunit	0.0055	0.0114	0.0598
Schistosoma mansoni	Cys-loop ligand gated ion channel subunit	0.0055	0.0114	0.0598
Schistosoma mansoni	nAChR subunit	0.0055	0.0114	0.0598
Loa Loa (eye worm)	hypothetical protein	0.003	0.0016	0.0086
Loa Loa (eye worm)	hypothetical protein	0.0055	0.0114	0.0598
Loa Loa (eye worm)	ligand-Gated ion Channel family member	0.0055	0.0114	0.0598
Echinococcus granulosus	nicotinic acetylcholine receptor a11 subunit	0.0055	0.0114	0.0598
Echinococcus granulosus	nAChR subunit	0.003	0.0016	0.0086
Echinococcus multilocularis	neuronal acetylcholine receptor subunit alpha 4	0.0055	0.0114	0.0598
Loa Loa (eye worm)	ACC-1 protein	0.0055	0.0114	0.0598
Echinococcus granulosus	glycine receptor subunit beta	0.0055	0.0114	0.0598
Loa Loa (eye worm)	hypothetical protein	0.0055	0.0114	0.0598
Echinococcus multilocularis	glycine receptor subunit beta	0.0055	0.0114	0.0598
Onchocerca volvulus	Putative nachr subunit	0.0055	0.0114	0.0598
Echinococcus multilocularis	translocator protein	0.0523	0.191	1
Brugia malayi	Cation transporter family protein	0.0055	0.0114	0.0598
Onchocerca volvulus		0.0055	0.0114	0.0598
Loa Loa (eye worm)	hypothetical protein	0.0523	0.191	1
Onchocerca volvulus		0.0523	0.191	1
Echinococcus multilocularis	nAChR subunit	0.0055	0.0114	0.0598
Mycobacterium tuberculosis	Probable 1-deoxy-D-xylulose 5-phosphate reductoisomerase Dxr (DXP reductoisomerase) (1-deoxyxylulose-5-phosphate reductoisomeras	0.1974	0.7479	0.5
Loa Loa (eye worm)	GABA receptor subunit	0.003	0.0016	0.0086
Brugia malayi	nicotinic acetylcholine receptor beta-1 chain precursor	0.0055	0.0114	0.0598
Onchocerca volvulus		0.0523	0.191	1
Loa Loa (eye worm)	hypothetical protein	0.003	0.0016	0.0086
Onchocerca volvulus		0.003	0.0016	0.0086
Echinococcus multilocularis	glycine receptor subunit alpha 1	0.0055	0.0114	0.0598
Entamoeba histolytica	hypothetical protein	0.003	0.0016	0.5
Loa Loa (eye worm)	hypothetical protein	0.0055	0.0114	0.0598
Loa Loa (eye worm)	hypothetical protein	0.003	0.0016	0.0086
Schistosoma mansoni	nAChR subunit	0.0055	0.0114	0.0598
Loa Loa (eye worm)	hypothetical protein	0.0055	0.0114	0.0598
Brugia malayi	Cation transporter family protein	0.0055	0.0114	0.0598
Onchocerca volvulus		0.0055	0.0114	0.0598
Echinococcus granulosus	nicotinic acetylcholine receptor subunit alpha 8	0.0055	0.0114	0.0598
Loa Loa (eye worm)	hypothetical protein	0.0055	0.0114	0.0598
Echinococcus granulosus	glycine receptor subunit alpha 1	0.0055	0.0114	0.0598
Loa Loa (eye worm)	hypothetical protein	0.0055	0.0114	0.0598
Loa Loa (eye worm)	hypothetical protein	0.0523	0.191	1
Loa Loa (eye worm)	hypothetical protein	0.0055	0.0114	0.0598
Echinococcus multilocularis	Cys loop ligand gated ion channel subunit	0.0055	0.0114	0.0598
Brugia malayi	acetylcholine receptor protein, alpha-like chain, putative	0.0055	0.0114	0.0598
Loa Loa (eye worm)	glutamate-gated chloride channel alpha3A subunit	0.0055	0.0114	0.0598
Echinococcus granulosus	Cys loop ligand gated ion channel subunit	0.0055	0.0114	0.0598
Echinococcus multilocularis	nicotinic acetylcholine receptor alpha subunit	0.0055	0.0114	0.0598
Brugia malayi	acetylcholine receptor, alpha-type subunit unc-38 precursor	0.0055	0.0114	0.0598
Brugia malayi	Neurotransmitter-gated ion-channel transmembrane region family protein	0.003	0.0016	0.0086
Schistosoma mansoni	nAChR subunit	0.0055	0.0114	0.0598
Echinococcus multilocularis	nicotinic acetylcholine receptor subunit alpha 8	0.0055	0.0114	0.0598
Onchocerca volvulus		0.003	0.0016	0.0086
Loa Loa (eye worm)	hypothetical protein	0.0055	0.0114	0.0598
Brugia malayi	Neurotransmitter-gated ion-channel transmembrane region family protein	0.0055	0.0114	0.0598
Brugia malayi	Neurotransmitter-gated ion-channel ligand binding domain containing protein	0.0055	0.0114	0.0598
Echinococcus granulosus	nicotinic acetylcholine receptor beta 1 subunit	0.0055	0.0114	0.0598
Loa Loa (eye worm)	hypothetical protein	0.0055	0.0114	0.0598
Brugia malayi	Neurotransmitter-gated ion-channel transmembrane region family protein	0.0055	0.0114	0.0598
Schistosoma mansoni	nAChR subunit	0.0055	0.0114	0.0598
Onchocerca volvulus		0.0055	0.0114	0.0598
Loa Loa (eye worm)	hypothetical protein	0.0055	0.0114	0.0598
Schistosoma mansoni	nAChR subunit	0.0055	0.0114	0.0598
Loa Loa (eye worm)	excitatory GABA receptor EXP-1A	0.0055	0.0114	0.0598
Brugia malayi	Hypothetical glycine receptor like protein T20B12.9 in chromosome III	0.0055	0.0114	0.0598

Activities

Activity type	Activity value	Assay description	Source	Reference
EC50 (functional)	= 0.00464 uM	PUBCHEM_BIOASSAY: Dose response for HTS for Beta-2AR agonists via FAP method from CP1. (Class of assay: confirmatory) [Related pubchem assays (depositor defined):AID485366, AID492947, AID504448]	ChEMBL.	No reference
Potency (functional)	= 0.2239 um	PUBCHEM_BIOASSAY: qHTS for inhibitors of ROR gamma transcriptional activity. (Class of assay: confirmatory)	ChEMBL.	No reference
Potency (functional)	3.1623 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)	18.526 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)	20.5878 uM	PUBCHEM_BIOASSAY: qHTS screen for small molecules that inhibit ELG1-dependent DNA repair in human embryonic kidney (HEK293T) cells expressing luciferase-tagged ELG1. (Class of assay: confirmatory) [Related pubchem assays (depositor defined):AID493107, AID493125]	ChEMBL.	No reference
Potency (functional)	28.1838 uM	PubChem BioAssay. qHTS of GLP-1 Receptor Inverse Agonists (Inhibition Mode). (Class of assay: confirmatory)	ChEMBL.	No reference
Potency (functional)	29.0929 uM	PUBCHEM_BIOASSAY: Nrf2 qHTS screen for inhibitors. (Class of assay: confirmatory) [Related pubchem assays (depositor defined):AID493153, AID493163, AID504648]	ChEMBL.	No reference
Potency (functional)	35.4813 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)	35.4813 uM	PubChem BioAssay. qHTS of PTHR Inhibitors: Primary Screen. (Class of assay: confirmatory)	ChEMBL.	No reference
Potency (functional)	100 uM	PUBCHEM_BIOASSAY: HTS for Inhibitors of HP1-beta Chromodomain Interactions with Methylated Histone Tails. (Class of assay: confirmatory) [Related pubchem assays (depositor defined):AID488962]	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: CHEMBL1562838

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 1405904