Detailed information for compound 1977483
Basic information
Technical information
- TDR Targets ID: 1977483
- Name: 2-[(E)-2-(2-methylphenyl)ethenyl]-1H-quinolin -4-one
- MW: 261.318 | Formula: C18H15NO
-
H donors: 1
H acceptors: 2
LogP: 4.5
Rotable bonds: 2
Rule of 5 violations (Lipinski): 1 - SMILES: Cc1ccccc1/C=C/c1cc(O)c2c(n1)cccc2
- InChi: 1S/C18H15NO/c1-13-6-2-3-7-14(13)10-11-15-12-18(20)16-8-4-5-9-17(16)19-15/h2-12H,1H3,(H,19,20)/b11-10+
- InChiKey: NUTJRCJUMGYLIV-ZHACJKMWSA-N
Network
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Synonyms
- 2-[2-(2-methylphenyl)ethenyl]-1H-quinolin-4-one
- 2-[(E)-2-(2-methylphenyl)vinyl]-1H-quinolin-4-one
- 2-[2-(2-methylphenyl)vinyl]-1H-quinolin-4-one
- 2-[2-(2-methylphenyl)vinyl]-4-quinolone
- 2-[(E)-2-(2-methylphenyl)vinyl]-4-quinolone
- ZINC04755940
Targets
Known targets for this compound
| Species | Target name | Source | Bibliographic reference |
|---|---|---|---|
| Saccharomyces cerevisiae | dihydroorotate dehydrogenase | Starlite/ChEMBL | No references |
| Plasmodium falciparum | dihydroorotate dehydrogenase | Starlite/ChEMBL | No references |
Predicted pathogen targets for this compound
By orthology
By sequence similarity to non orthologous known druggable targets
No druggable targets predicted by sequence similarity
Obtained from network model
Ranking Plot
Putative Targets List
Activities
| Activity type | Activity value | Assay description | Source | Reference |
|---|---|---|---|---|
| IC50 (binding) | = 930 nM | BindingDB_Patents: Enzymatic Assays. Type 2 DHODH activity was monitored with either the direct assay measuring the formation of orotate or via a chromogen reduction assay using DCIP. Although the extinction coefficient and absorption wavelength are preferable for the chromogen reduction assay, the inorganic electron acceptor DCIP can be utilized by DHODH as the final electron acceptor in lieu of CoQn when the endogenous substrate is at a low concentration. As such, the direct assay was used to measure the binding affinity of pfDHODH to CoQD and L-DHO. The enzymatic reaction was performed by varying the L-DHO concentration (1-400 µM) or CoQD concentration (1-200 µM) while keeping the other substrate constant and in excess. Inhibition of DHODH by small molecules was evaluated using the chromogen based assay with a final substrate concentration of 200 µM L-DHO, 18 µM CoQD, and 100 µM DCIP, unless otherwise noted. | 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
No external resources registered for this compound
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.