TDR Targets

Basic information

Technical information

TDR Targets ID: 1482771
Name: 4-fluoro-N-[4-(quinoxalin-2-ylsulfamoyl)pheny l]benzamide
MW: 422.432 | Formula: C21H15FN4O3S
H donors: 2 H acceptors: 5 LogP: 3 Rotable bonds: 6
Rule of 5 violations (Lipinski): 1
SMILES: Fc1ccc(cc1)C(=O)Nc1ccc(cc1)S(=O)(=O)Nc1cnc2c(n1)cccc2
InChi: 1S/C21H15FN4O3S/c22-15-7-5-14(6-8-15)21(27)24-16-9-11-17(12-10-16)30(28,29)26-20-13-23-18-3-1-2-4-19(18)25-20/h1-13H,(H,24,27)(H,25,26)
InChiKey: BENNFCUCAJUHSD-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

4-fluoro-N-[4-(2-quinoxalinylsulfamoyl)phenyl]benzamide
4-fluoro-N-{4-[(2-quinoxalinylamino)sulfonyl]phenyl}benzamide
MLS001178870
SMR000476961
IVK/9390548
ZINC00657530
AK-968/41927432

Targets

Known targets for this compound

Species	Target name	Source	Bibliographic reference
Homo sapiens	apolipoprotein B mRNA editing enzyme, catalytic polypeptide-like 3D	Starlite/ChEMBL	No references
Homo sapiens	geminin, DNA replication inhibitor	Starlite/ChEMBL	No references
Homo sapiens	parathyroid hormone 1 receptor	Starlite/ChEMBL	No references

Predicted pathogen targets for this compound

By orthology

Species	Potential target	Known druggable target/s	Ortholog Group
Schistosoma japonicum	ko:K04588 secretin receptor, putative	Get druggable targets OG5_139196	All targets in OG5_139196

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 %

Ranking Plot

Putative Targets List

Species	Potential target	Raw	Global	Species
Brugia malayi	glutamate-gated chloride channel alpha3A subunit, putative	0.002	0.0057	0.0084
Loa Loa (eye worm)	hypothetical protein	0.0038	0.0786	0.1153
Brugia malayi	Neurotransmitter-gated ion-channel ligand binding domain containing protein	0.0038	0.0786	0.1153
Echinococcus granulosus	nicotinic acetylcholine receptor subunit type	0.0038	0.0786	0.0786
Echinococcus granulosus	casein kinase ii subunit beta	0.0037	0.0743	0.0743
Echinococcus granulosus	glycine receptor subunit beta	0.0038	0.0786	0.0786
Onchocerca volvulus	Casein kinase II subunit beta homolog	0.0037	0.0743	0.1015
Brugia malayi	Neurotransmitter-gated ion-channel transmembrane region family protein	0.0038	0.0786	0.1153
Echinococcus multilocularis	casein kinase ii subunit beta	0.0037	0.0743	0.0743
Echinococcus multilocularis	nicotinic acetylcholine receptor alpha subunit	0.0038	0.0786	0.0786
Loa Loa (eye worm)	hypothetical protein	0.0182	0.6812	1
Echinococcus granulosus	glycine receptor subunit alpha 1	0.0038	0.0786	0.0786
Onchocerca volvulus		0.0038	0.0786	0.1079
Loa Loa (eye worm)	hypothetical protein	0.0038	0.0786	0.1153
Echinococcus multilocularis	glycine receptor subunit alpha 1	0.0038	0.0786	0.0786
Echinococcus granulosus	glycine receptor subunit alpha 1	0.0038	0.0786	0.0786
Loa Loa (eye worm)	hypothetical protein	0.0038	0.0786	0.1153
Schistosoma mansoni	Cys-loop ligand gated ion channel subunit	0.0038	0.0786	0.1016
Loa Loa (eye worm)	hypothetical protein	0.002	0.0057	0.0084
Trichomonas vaginalis	casein kinase II beta chain, putative	0.0037	0.0743	0.5
Echinococcus multilocularis	geminin	0.0205	0.7735	0.7735
Loa Loa (eye worm)	hypothetical protein	0.002	0.0057	0.0084
Onchocerca volvulus		0.0038	0.0786	0.1079
Trypanosoma brucei	Casein kinase II subunit beta, putative	0.0037	0.0743	0.5
Brugia malayi	Neurotransmitter-gated ion-channel transmembrane region family protein	0.002	0.0057	0.0084
Brugia malayi	Cation transporter family protein	0.0038	0.0786	0.1153
Loa Loa (eye worm)	hypothetical protein	0.0038	0.0786	0.1153
Brugia malayi	Neurotransmitter-gated ion-channel ligand binding domain containing protein	0.0038	0.0786	0.1153
Echinococcus granulosus	nAChR subunit	0.0038	0.0786	0.0786
Brugia malayi	Corticotropin releasing factor receptor 2 precursor, putative	0.006	0.1715	0.2518
Loa Loa (eye worm)	hypothetical protein	0.0038	0.0786	0.1153
Trichomonas vaginalis	casein kinase II beta chain, putative	0.0037	0.0743	0.5
Loa Loa (eye worm)	hypothetical protein	0.002	0.0057	0.0084
Trichomonas vaginalis	casein kinase II beta chain, putative	0.0037	0.0743	0.5
Giardia lamblia	Casein kinase II beta chain	0.0037	0.0743	0.5
Loa Loa (eye worm)	pigment dispersing factor receptor c	0.006	0.1715	0.2518
Trichomonas vaginalis	casein kinase II beta chain, putative	0.0037	0.0743	0.5
Onchocerca volvulus	Putative nachr subunit	0.0038	0.0786	0.1079
Loa Loa (eye worm)	GABA receptor subunit	0.002	0.0057	0.0084
Loa Loa (eye worm)	hypothetical protein	0.0038	0.0786	0.1153
Schistosoma mansoni	Cys-loop ligand gated ion channel subunit	0.0038	0.0786	0.1016
Loa Loa (eye worm)	excitatory GABA receptor EXP-1A	0.0038	0.0786	0.1153
Loa Loa (eye worm)	ACC-1 protein	0.0038	0.0786	0.1153
Brugia malayi	Neurotransmitter-gated ion-channel transmembrane region family protein	0.002	0.0057	0.0084
Echinococcus multilocularis	glycine receptor subunit beta	0.0038	0.0786	0.0786
Loa Loa (eye worm)	hypothetical protein	0.0038	0.0786	0.1153
Loa Loa (eye worm)	ACC-1 protein	0.0038	0.0786	0.1153
Brugia malayi	Calcitonin receptor-like protein seb-1	0.006	0.1715	0.2518
Echinococcus multilocularis	nicotinic acetylcholine receptor beta 1 subunit	0.0038	0.0786	0.0786
Echinococcus granulosus	nicotinic acetylcholine receptor alpha subunit	0.0038	0.0786	0.0786
Brugia malayi	Neurotransmitter-gated ion-channel ligand binding domain containing protein	0.0038	0.0786	0.1153
Echinococcus granulosus	neuronal acetylcholine receptor subunit alpha 4	0.0038	0.0786	0.0786
Brugia malayi	gamma-aminobutyric-acid receptor beta subunit precursor	0.0038	0.0786	0.1153
Brugia malayi	Csnk2b protein	0.0037	0.0743	0.109
Trichomonas vaginalis	casein kinase II beta chain, putative	0.0037	0.0743	0.5
Loa Loa (eye worm)	hypothetical protein	0.002	0.0057	0.0084
Trypanosoma cruzi	hypothetical protein, conserved	0.0091	0.2981	1
Loa Loa (eye worm)	hypothetical protein	0.006	0.1715	0.2518
Leishmania major	hypothetical protein, conserved	0.0094	0.3126	1
Echinococcus multilocularis	acetylcholine receptor subunit beta 1	0.0038	0.0786	0.0786
Brugia malayi	Neurotransmitter-gated ion-channel transmembrane region family protein	0.0038	0.0786	0.1153
Brugia malayi	acetylcholine receptor protein, alpha-like chain, putative	0.0038	0.0786	0.1153
Brugia malayi	Neurotransmitter-gated ion-channel ligand binding domain containing protein	0.0038	0.0786	0.1153
Brugia malayi	nicotinic acetylcholine receptor alpha subunit, putative	0.0038	0.0786	0.1153
Loa Loa (eye worm)	hypothetical protein	0.0038	0.0786	0.1153
Echinococcus granulosus	glycine receptor subunit beta	0.0038	0.0786	0.0786
Loa Loa (eye worm)	hypothetical protein	0.0038	0.0786	0.1153
Schistosoma mansoni	nAChR subunit	0.0038	0.0786	0.1016
Loa Loa (eye worm)	ligand-Gated ion Channel family member	0.0038	0.0786	0.1153
Schistosoma mansoni	nAChR subunit	0.0038	0.0786	0.1016
Brugia malayi	acetylcholine receptor alpha subunit precursor, putative	0.0038	0.0786	0.1153
Echinococcus multilocularis	nicotinic acetylcholine receptor a11 subunit	0.0038	0.0786	0.0786
Loa Loa (eye worm)	Csnk2b protein	0.0037	0.0743	0.109
Schistosoma mansoni	hypothetical protein	0.0041	0.0921	0.1191
Plasmodium vivax	casein kinase II beta chain, putative	0.0037	0.0743	0.5
Loa Loa (eye worm)	LGC-31 protein	0.0038	0.0786	0.1153
Schistosoma mansoni	nAChR subunit (ShAR1-beta2-like)	0.0038	0.0786	0.1016
Brugia malayi	Cation transporter family protein	0.0038	0.0786	0.1153
Trichomonas vaginalis	casein kinase II beta chain, putative	0.0037	0.0743	0.5
Schistosoma mansoni	nAChR subunit (ShAR1-alpha-like)	0.0038	0.0786	0.1016
Echinococcus granulosus	Cys loop ligand gated ion channel subunit	0.0038	0.0786	0.0786
Brugia malayi	acetylcholine receptor, alpha-type subunit unc-38 precursor	0.0038	0.0786	0.1153
Loa Loa (eye worm)	acetylcholine receptor alpha subunit	0.0038	0.0786	0.1153
Entamoeba histolytica	casein kinase II regulatory subunit family protein	0.0037	0.0743	1
Loa Loa (eye worm)	hypothetical protein	0.002	0.0057	0.0084
Brugia malayi	excitatory GABA receptor EXP-1A	0.0038	0.0786	0.1153
Loa Loa (eye worm)	hypothetical protein	0.0038	0.0786	0.1153
Brugia malayi	Neurotransmitter-gated ion-channel ligand binding domain containing protein	0.0038	0.0786	0.1153
Trichomonas vaginalis	casein kinase II beta chain, putative	0.0037	0.0743	0.5
Loa Loa (eye worm)	hypothetical protein	0.0038	0.0786	0.1153
Echinococcus multilocularis	nAChR subunit	0.0038	0.0786	0.0786
Schistosoma mansoni	nAChR subunit	0.0038	0.0786	0.1016
Plasmodium vivax	casein kinase II beta chain, putative	0.0037	0.0743	0.5
Onchocerca volvulus		0.0038	0.0786	0.1079
Echinococcus multilocularis	neuronal acetylcholine receptor subunit alpha 4	0.0038	0.0786	0.0786
Loa Loa (eye worm)	hypothetical protein	0.0038	0.0786	0.1153
Loa Loa (eye worm)	nicotinic acetylcholine receptor non-alpha subunit	0.0038	0.0786	0.1153
Echinococcus granulosus	glycine receptor subunit alpha 1	0.0038	0.0786	0.0786
Trichomonas vaginalis	casein kinase II beta chain, putative	0.0037	0.0743	0.5
Loa Loa (eye worm)	hypothetical protein	0.0041	0.0921	0.1353
Trichomonas vaginalis	casein kinase II beta chain, putative	0.0037	0.0743	0.5
Plasmodium falciparum	casein kinase II beta chain	0.0037	0.0743	0.5
Brugia malayi	Hypothetical glycine receptor like protein T20B12.9 in chromosome III	0.002	0.0057	0.0084
Toxoplasma gondii	ck2 beta subunit	0.0037	0.0743	0.5
Echinococcus multilocularis	DNA dependent protein kinase catalytic subunit	0.0259	1	1
Onchocerca volvulus		0.0038	0.0786	0.1079
Onchocerca volvulus	Casein kinase II subunit beta homolog	0.0037	0.0743	0.1015
Onchocerca volvulus		0.0038	0.0786	0.1079
Trichomonas vaginalis	casein kinase II beta chain, putative	0.0037	0.0743	0.5
Brugia malayi	Neurotransmitter-gated ion-channel ligand binding domain containing protein	0.0038	0.0786	0.1153
Onchocerca volvulus		0.0038	0.0786	0.1079
Loa Loa (eye worm)	hypothetical protein	0.0038	0.0786	0.1153
Schistosoma mansoni	hypothetical protein	0.0205	0.7735	1
Echinococcus granulosus	nicotinic acetylcholine receptor a11 subunit	0.0038	0.0786	0.0786
Loa Loa (eye worm)	hypothetical protein	0.0038	0.0786	0.1153
Echinococcus granulosus	nAChR subunit	0.002	0.0057	0.0057
Echinococcus multilocularis	glycine receptor subunit alpha 1	0.0038	0.0786	0.0786
Schistosoma mansoni	nAChR subunit	0.0038	0.0786	0.1016
Schistosoma mansoni	nAChR subunit	0.0038	0.0786	0.1016
Loa Loa (eye worm)	hypothetical protein	0.0038	0.0786	0.1153
Schistosoma mansoni	nAChR subunit	0.0038	0.0786	0.1016
Schistosoma mansoni	nicotinic acetylcholine receptor alpha	0.002	0.0057	0.0074
Brugia malayi	Cation transporter family protein	0.0038	0.0786	0.1153
Loa Loa (eye worm)	hypothetical protein	0.0038	0.0786	0.1153
Schistosoma mansoni	casein kinase II beta subunit	0.0037	0.0743	0.096
Loa Loa (eye worm)	hypothetical protein	0.002	0.0057	0.0084
Echinococcus multilocularis	Cys loop ligand gated ion channel subunit	0.0038	0.0786	0.0786
Loa Loa (eye worm)	hypothetical protein	0.0038	0.0786	0.1153
Schistosoma mansoni	hypothetical protein	0.0205	0.7735	1
Trichomonas vaginalis	casein kinase II beta chain, putative	0.0037	0.0743	0.5
Trichomonas vaginalis	casein kinase II beta chain, putative	0.0037	0.0743	0.5
Echinococcus multilocularis	glycine receptor subunit alpha 1	0.0038	0.0786	0.0786
Schistosoma mansoni	Cys-loop ligand gated ion channel subunit	0.0038	0.0786	0.1016
Onchocerca volvulus		0.0182	0.6812	1
Echinococcus multilocularis	nicotinic acetylcholine receptor subunit alpha 8	0.0038	0.0786	0.0786
Plasmodium falciparum	casein kinase II beta chain	0.0037	0.0743	0.5
Schistosoma mansoni	neurotransmitter gated ion channel	0.002	0.0057	0.0074
Loa Loa (eye worm)	hypothetical protein	0.0038	0.0786	0.1153
Brugia malayi	Hypothetical glycine receptor like protein T20B12.9 in chromosome III	0.0038	0.0786	0.1153
Toxoplasma gondii	casein kinase ii regulatory subunit protein	0.0037	0.0743	0.5
Brugia malayi	hypothetical protein	0.0182	0.6812	1
Entamoeba histolytica	casein kinase II regulatory subunit family protein	0.0037	0.0743	1
Entamoeba histolytica	casein kinase II regulatory subunit family protein	0.0037	0.0743	1
Loa Loa (eye worm)	hypothetical protein	0.0038	0.0786	0.1153
Brugia malayi	latrophilin 2 splice variant baaae	0.0041	0.0921	0.1353
Loa Loa (eye worm)	hypothetical protein	0.002	0.0057	0.0084
Loa Loa (eye worm)	hypothetical protein	0.002	0.0057	0.0084
Loa Loa (eye worm)	nicotinic acetylcholine receptor alpha subunit	0.0038	0.0786	0.1153
Brugia malayi	Neurotransmitter-gated ion-channel transmembrane region family protein	0.0038	0.0786	0.1153
Trichomonas vaginalis	casein kinase II beta chain, putative	0.0037	0.0743	0.5
Echinococcus granulosus	nicotinic acetylcholine receptor subunit alpha 8	0.0038	0.0786	0.0786
Schistosoma mansoni	nAChR subunit (ShAR1-beta-like)	0.0038	0.0786	0.1016
Echinococcus multilocularis	glycine receptor subunit beta	0.0038	0.0786	0.0786
Schistosoma mansoni	Cys-loop ligand gated ion channel subunit	0.002	0.0057	0.0074
Brugia malayi	nicotinic acetylcholine receptor beta-1 chain precursor	0.0038	0.0786	0.1153
Loa Loa (eye worm)	hypothetical protein	0.002	0.0057	0.0084
Schistosoma mansoni	nAChR subunit	0.0038	0.0786	0.1016
Echinococcus granulosus	nicotinic acetylcholine receptor beta 1 subunit	0.0038	0.0786	0.0786
Loa Loa (eye worm)	glutamate-gated chloride channel alpha3A subunit	0.0038	0.0786	0.1153
Echinococcus granulosus	acetylcholine receptor subunit beta 1	0.0038	0.0786	0.0786
Echinococcus multilocularis	nAChR subunit	0.002	0.0057	0.0057
Echinococcus granulosus	geminin	0.0205	0.7735	0.7735
Trichomonas vaginalis	casein kinase II beta chain, putative	0.0037	0.0743	0.5
Trichomonas vaginalis	casein kinase II beta chain, putative	0.0037	0.0743	0.5

Activities

Activity type	Activity value	Assay description	Source	Reference
Potency (functional)	6.3096 uM	PUBCHEM_BIOASSAY: qHTS for Inhibitors of Vif-A3F Interactions: qHTS. (Class of assay: confirmatory)	ChEMBL.	No reference
Potency (functional)	7.0795 uM	PubChem BioAssay. qHTS of PTHR Inhibitors: Primary Screen. (Class of assay: confirmatory)	ChEMBL.	No reference
Potency (functional)	7.3078 uM	PubChem BioAssay. A quantitative high throughput screen for small molecules that induce DNA re-replication in SW480 colon adenocarcinoma cells. (Class of assay: confirmatory)	ChEMBL.	No reference
Potency (functional)	25.1189 uM	PubChem BioAssay. Inhibitors of Secretory Acid Sphingomyelinase (S-ASM): qHTS. (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 for Inhibitors of Glutaminase (GLS). (Class of assay: confirmatory)	ChEMBL.	No reference
Potency (functional)	70.7946 uM	PUBCHEM_BIOASSAY: Inhibitors of Regulator of G Protein Signaling (RGS) 4: qHTS. (Class of assay: confirmatory) [Related pubchem assays (depositor defined):AID504856]	ChEMBL.	No reference
Potency (functional)	89.1251 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

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: CHEMBL1717144

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 1482771