Detailed information for compound 1596828
Basic information
Technical information
- TDR Targets ID: 1596828
- Name: N-(3,4-dichlorophenyl)-2-oxo-3,4-dihydro-1H-q uinoline-6-sulfonamide
- MW: 371.238 | Formula: C15H12Cl2N2O3S
-
H donors: 2
H acceptors: 3
LogP: 2.85
Rotable bonds: 3
Rule of 5 violations (Lipinski): 1 - SMILES: O=C1CCc2c(N1)ccc(c2)S(=O)(=O)Nc1ccc(c(c1)Cl)Cl
- InChi: 1S/C15H12Cl2N2O3S/c16-12-4-2-10(8-13(12)17)19-23(21,22)11-3-5-14-9(7-11)1-6-15(20)18-14/h2-5,7-8,19H,1,6H2,(H,18,20)
- InChiKey: WDMSYXZEYIVUAV-UHFFFAOYSA-N
Network
Hover on a compound node to display the structore
Synonyms
- N-(3,4-dichlorophenyl)-2-keto-3,4-dihydro-1H-quinoline-6-sulfonamide
- ZINC07417269
Targets
Known targets for this compound
| Species | Target name | Source | Bibliographic reference |
|---|---|---|---|
| Homo sapiens | pyruvate kinase, muscle | Starlite/ChEMBL | 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 % |
Obtained from network model
Ranking Plot
Putative Targets List
| Species | Potential target | Raw | Global | Species |
|---|---|---|---|---|
| Trypanosoma brucei | pyruvate kinase 1, putative | 0.004 | 0.0236 | 0.5 |
| Echinococcus multilocularis | pyruvate kinase | 0.004 | 0.0236 | 0.0236 |
| Mycobacterium leprae | Probable pyruvate kinase PykA | 0.004 | 0.0236 | 0.5 |
| Giardia lamblia | Pyruvate kinase | 0.004 | 0.0236 | 0.2181 |
| Echinococcus granulosus | pyruvate kinase | 0.004 | 0.0236 | 0.0236 |
| Entamoeba histolytica | kinesin, putative | 0.0111 | 0.1082 | 1 |
| Echinococcus granulosus | pyruvate kinase | 0.004 | 0.0236 | 0.0236 |
| Trichomonas vaginalis | pyruvate kinase, putative | 0.004 | 0.0236 | 0.5 |
| Loa Loa (eye worm) | kinesin-like protein KLP2 | 0.0111 | 0.1082 | 1 |
| Onchocerca volvulus | Pyruvate kinase homolog | 0.004 | 0.0236 | 0.5 |
| Leishmania major | pyruvate kinase | 0.004 | 0.0236 | 0.5 |
| Mycobacterium ulcerans | pyruvate kinase | 0.004 | 0.0236 | 0.5 |
| Echinococcus multilocularis | pyruvate kinase | 0.004 | 0.0236 | 0.0236 |
| Echinococcus multilocularis | kinesin family 1 | 0.0851 | 1 | 1 |
| Trichomonas vaginalis | pyruvate kinase, putative | 0.004 | 0.0236 | 0.5 |
| Plasmodium vivax | pyruvate kinase, putative | 0.004 | 0.0236 | 0.2181 |
| Schistosoma mansoni | hypothetical protein | 0.0741 | 0.8669 | 1 |
| Plasmodium vivax | kinesin-5 | 0.0111 | 0.1082 | 1 |
| Schistosoma mansoni | kinesin eg-5 | 0.0111 | 0.1082 | 0.1249 |
| Giardia lamblia | Kinesin-5 | 0.0111 | 0.1082 | 1 |
| Loa Loa (eye worm) | pyruvate kinase | 0.004 | 0.0236 | 0.1478 |
| Trypanosoma cruzi | pyruvate kinase 2, putative | 0.004 | 0.0236 | 0.5 |
| Toxoplasma gondii | kinesin motor domain-containing protein | 0.0111 | 0.1082 | 1 |
| Mycobacterium tuberculosis | Probable pyruvate kinase PykA | 0.004 | 0.0236 | 0.5 |
| Onchocerca volvulus | Pyruvate kinase homolog | 0.004 | 0.0236 | 0.5 |
| Leishmania major | pyruvate kinase | 0.004 | 0.0236 | 0.5 |
| Onchocerca volvulus | Pyruvate kinase homolog | 0.004 | 0.0236 | 0.5 |
| Schistosoma mansoni | pyruvate kinase | 0.004 | 0.0236 | 0.0272 |
| Loa Loa (eye worm) | hypothetical protein | 0.004 | 0.0236 | 0.1478 |
| Plasmodium falciparum | kinesin-5 | 0.0111 | 0.1082 | 1 |
| Plasmodium falciparum | pyruvate kinase | 0.004 | 0.0236 | 0.2181 |
| Trypanosoma brucei | pyruvate kinase 1 | 0.004 | 0.0236 | 0.5 |
| Schistosoma mansoni | pyruvate kinase | 0.004 | 0.0236 | 0.0272 |
| Chlamydia trachomatis | pyruvate kinase | 0.004 | 0.0236 | 0.5 |
| Toxoplasma gondii | pyruvate kinase PyK1 | 0.004 | 0.0236 | 0.2181 |
| Loa Loa (eye worm) | pyruvate kinase | 0.004 | 0.0236 | 0.1478 |
| Echinococcus multilocularis | pyruvate kinase | 0.0032 | 0.0134 | 0.0134 |
| Loa Loa (eye worm) | pyruvate kinase | 0.004 | 0.0236 | 0.1478 |
| Brugia malayi | Kinesin motor domain containing protein | 0.0111 | 0.1082 | 1 |
| Trypanosoma cruzi | pyruvate kinase 2, putative | 0.004 | 0.0236 | 0.5 |
Activities
| Activity type | Activity value | Assay description | Source | Reference |
|---|---|---|---|---|
| EC50 (binding) | = 1.3 uM | Activation of human PKM2 assessed as ATP product formation after 1 hr by luminescent pyruvate kinase-luciferase coupled assay | ChEMBL. | 21958545 |
| Emax (binding) | = 95 % | Activation of human PKM2 assessed as ATP product formation at 57 uM after 1 hr by luminescent pyruvate-kinase luciferase coupled assay | ChEMBL. | 21958545 |
| Potency (functional) | 7.3003 uM | PUBCHEM_BIOASSAY: Confirmation Concentration-Response Assay for Activators of Human Muscle isoform 2 Pyruvate Kinase: for Probe SAR. (Class of assay: confirmatory) | ChEMBL. | No reference |
| Potency (functional) | = 23.0856 um | PUBCHEM_BIOASSAY: Secondary LDH Assay for Activators of Human Liver Pyruvate Kinase: for Probe SAR. (Class of assay: confirmatory) [Related pubchem assays: 1540, 2576, 2535, 2095, 1751, 2536, 2533, 2562, 2534, 1631 ] | 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: CHEMBL1939086
Bibliographic References
1 literature reference was collected for this gene.
If you have references for this compound, please enter them in a user comment (below) or Contact us.