Detailed information for compound 713947
Basic information
Technical information
- TDR Targets ID: 713947
- Name: N-(4-fluorophenyl)-2-oxochromene-6-sulfonamid e
- MW: 319.308 | Formula: C15H10FNO4S
-
H donors: 1
H acceptors: 3
LogP: 2.53
Rotable bonds: 3
Rule of 5 violations (Lipinski): 1 - SMILES: Fc1ccc(cc1)NS(=O)(=O)c1ccc2c(c1)ccc(=O)o2
- InChi: 1S/C15H10FNO4S/c16-11-2-4-12(5-3-11)17-22(19,20)13-6-7-14-10(9-13)1-8-15(18)21-14/h1-9,17H
- InChiKey: SKYNMCUFKHLGFO-UHFFFAOYSA-N
Network
Hover on a compound node to display the structore
Synonyms
- N-(4-fluorophenyl)-2-oxo-chromene-6-sulfonamide
- N-(4-fluorophenyl)-2-oxo-6-chromenesulfonamide
- N-(4-fluorophenyl)-2-keto-chromene-6-sulfonamide
- SMR000079618
- T5968822
- ZINC00528415
- MLS000066101
- N-(4-fluorophenyl)-2-oxo-2H-chromene-6-sulfonamide
Targets
Known targets for this compound
| Species | Target name | Source | Bibliographic reference |
|---|---|---|---|
| Homo sapiens | nuclear factor, erythroid 2-like 2 | Starlite/ChEMBL | No references |
| Homo sapiens | pyruvate kinase, muscle | Starlite/ChEMBL | No references |
| Homo sapiens | GNAS complex locus | Starlite/ChEMBL | No references |
Predicted pathogen targets for this compound
By orthology
By sequence similarity to non orthologous known druggable targets
| Species | Potential target | Known druggable target | Length | Alignment span | Identity |
|---|---|---|---|---|---|
| Echinococcus granulosus | pyruvate kinase | pyruvate kinase, muscle | 605 aa | 521 aa | 34.9 % |
| Schistosoma mansoni | GTP-binding protein alpha subunit gna | GNAS complex locus | 394 aa | 450 aa | 28.7 % |
Obtained from network model
Ranking Plot
Putative Targets List
| Species | Potential target | Raw | Global | Species |
|---|---|---|---|---|
| Plasmodium falciparum | pyruvate kinase | 0.004 | 0.5673 | 1 |
| Echinococcus granulosus | pyruvate kinase | 0.004 | 0.5673 | 0.5673 |
| Echinococcus multilocularis | guanine nucleotide binding protein G(s) subunit | 0.0055 | 1 | 1 |
| Mycobacterium leprae | Probable pyruvate kinase PykA | 0.004 | 0.5673 | 0.5 |
| Trichomonas vaginalis | pyruvate kinase, putative | 0.004 | 0.5673 | 0.5 |
| Trichomonas vaginalis | pyruvate kinase, putative | 0.004 | 0.5673 | 0.5 |
| Onchocerca volvulus | Pyruvate kinase homolog | 0.004 | 0.5673 | 0.5 |
| Echinococcus granulosus | Basic leucine zipper bZIP transcription | 0.0043 | 0.6588 | 0.6588 |
| Entamoeba histolytica | hypothetical protein | 0.0043 | 0.6588 | 1 |
| Loa Loa (eye worm) | hypothetical protein | 0.004 | 0.5673 | 0.4491 |
| Entamoeba histolytica | hypothetical protein | 0.0043 | 0.6588 | 1 |
| Loa Loa (eye worm) | pyruvate kinase | 0.004 | 0.5673 | 0.4491 |
| Leishmania major | pyruvate kinase | 0.004 | 0.5673 | 0.5 |
| Onchocerca volvulus | Pyruvate kinase homolog | 0.004 | 0.5673 | 0.5 |
| Plasmodium vivax | pyruvate kinase, putative | 0.004 | 0.5673 | 1 |
| Loa Loa (eye worm) | GTP-binding regulatory protein Gs alpha-S chain | 0.0055 | 1 | 1 |
| Schistosoma mansoni | Guanine nucleotide-binding protein G(s) subunit alpha (Adenylate cyclase-stimulating G alpha protein) | 0.0055 | 1 | 1 |
| Schistosoma mansoni | hypothetical protein | 0.0043 | 0.6588 | 0.6588 |
| Echinococcus granulosus | guanine nucleotide binding protein Gs subunit | 0.0055 | 1 | 1 |
| Schistosoma mansoni | pyruvate kinase | 0.004 | 0.5673 | 0.5673 |
| Echinococcus multilocularis | guanine nucleotide binding protein G(s) subunit | 0.0055 | 1 | 1 |
| Echinococcus granulosus | pyruvate kinase | 0.004 | 0.5673 | 0.5673 |
| Trypanosoma cruzi | pyruvate kinase 2, putative | 0.004 | 0.5673 | 0.5 |
| Trypanosoma brucei | pyruvate kinase 1 | 0.004 | 0.5673 | 0.5 |
| Mycobacterium ulcerans | pyruvate kinase | 0.004 | 0.5673 | 0.5 |
| Loa Loa (eye worm) | pyruvate kinase | 0.004 | 0.5673 | 0.4491 |
| Leishmania major | pyruvate kinase | 0.004 | 0.5673 | 0.5 |
| Trypanosoma brucei | pyruvate kinase 1, putative | 0.004 | 0.5673 | 0.5 |
| Brugia malayi | hypothetical protein | 0.0043 | 0.6588 | 0.2115 |
| Onchocerca volvulus | Pyruvate kinase homolog | 0.004 | 0.5673 | 0.5 |
| Schistosoma mansoni | pyruvate kinase | 0.004 | 0.5673 | 0.5673 |
| Chlamydia trachomatis | pyruvate kinase | 0.004 | 0.5673 | 0.5 |
| Echinococcus multilocularis | Basic leucine zipper (bZIP) transcription | 0.0043 | 0.6588 | 0.6588 |
| Giardia lamblia | Pyruvate kinase | 0.004 | 0.5673 | 1 |
| Echinococcus multilocularis | pyruvate kinase | 0.0032 | 0.3217 | 0.3217 |
| Schistosoma mansoni | transcription factor LCR-F1 | 0.0043 | 0.6588 | 0.6588 |
| Loa Loa (eye worm) | pyruvate kinase | 0.004 | 0.5673 | 0.4491 |
| Schistosoma mansoni | Guanine nucleotide-binding protein G(s) subunit alpha (Adenylate cyclase-stimulating G alpha protein) | 0.0055 | 1 | 1 |
| Toxoplasma gondii | pyruvate kinase PyK1 | 0.004 | 0.5673 | 1 |
| Trypanosoma cruzi | pyruvate kinase 2, putative | 0.004 | 0.5673 | 0.5 |
| Entamoeba histolytica | hypothetical protein | 0.0043 | 0.6588 | 1 |
| Entamoeba histolytica | hypothetical protein | 0.0043 | 0.6588 | 1 |
| Echinococcus granulosus | guanine nucleotide binding protein Gs subunit | 0.0055 | 1 | 1 |
| Echinococcus multilocularis | pyruvate kinase | 0.004 | 0.5673 | 0.5673 |
| Schistosoma mansoni | Guanine nucleotide-binding protein G(s) subunit alpha (Adenylate cyclase-stimulating G alpha protein) | 0.0055 | 1 | 1 |
| Echinococcus multilocularis | pyruvate kinase | 0.004 | 0.5673 | 0.5673 |
| Mycobacterium tuberculosis | Probable pyruvate kinase PykA | 0.004 | 0.5673 | 0.5 |
Activities
| Activity type | Activity value | Assay description | Source | Reference |
|---|---|---|---|---|
| Potency (functional) | 1.2995 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) | 5.0119 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 |
| Potency (functional) | = 10 um | PUBCHEM_BIOASSAY: qHTS Assay for Activators of Human Muscle isoform 2 Pyruvate Kinase. (Class of assay: confirmatory) | ChEMBL. | No reference |
| Potency (functional) | = 10 um | PUBCHEM_BIOASSAY: qHTS Assay for Inhibitors of Human Muscle isoform 2 Pyruvate Kinase. (Class of assay: confirmatory) [Related pubchem assays: 1379 ] | ChEMBL. | No reference |
| Potency (functional) | 29.0929 uM | PUBCHEM_BIOASSAY: qHTS Assay for Inhibitors of RanGTP induced Rango (Ran-regulated importin-beta cargo) - Importin beta complex dissociation. (Class of assay: confirmatory) [Related pubchem assays (depositor defined):AID540262] | 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.
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: CHEMBL1427456
- Search by Saint Jude
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.