Detailed information for compound 1471925
Basic information
Technical information
- TDR Targets ID: 1471925
- Name: 3-(4-chlorophenyl)-2-methylsulfanylquinazolin -4-one
- MW: 302.779 | Formula: C15H11ClN2OS
-
H donors: 0
H acceptors: 1
LogP: 4
Rotable bonds: 2
Rule of 5 violations (Lipinski): 1 - SMILES: CSc1nc2ccccc2c(=O)n1c1ccc(cc1)Cl
- InChi: 1S/C15H11ClN2OS/c1-20-15-17-13-5-3-2-4-12(13)14(19)18(15)11-8-6-10(16)7-9-11/h2-9H,1H3
- InChiKey: NPKBVVPMTHXHPW-UHFFFAOYSA-N
Network
Hover on a compound node to display the structore
Synonyms
- 3-(4-chlorophenyl)-2-methylsulfanyl-quinazolin-4-one
- 3-(4-chlorophenyl)-2-(methylthio)-4-quinazolinone
- 3-(4-chlorophenyl)-2-(methylthio)quinazolin-4-one
- ZINC08188315
Targets
Known targets for this compound
No curated genes were found associated with this compound
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
Obtained from network model
Ranking Plot
Putative Targets List
| Species | Potential target | Raw | Global | Species |
|---|---|---|---|---|
| Schistosoma mansoni | sodium-bile acid cotransporter related | 0.104 | 1 | 1 |
| Onchocerca volvulus | 0.104 | 1 | 0.5 | |
| Echinococcus granulosus | sodium bile acid cotransporter | 0.104 | 1 | 0.5 |
| Echinococcus multilocularis | sodium bile acid cotransporter | 0.104 | 1 | 0.5 |
| Echinococcus granulosus | sodium bile acid cotransporter | 0.104 | 1 | 0.5 |
| Echinococcus multilocularis | sodium bile acid cotransporter | 0.104 | 1 | 0.5 |
| Echinococcus multilocularis | sodium bile acid cotransporter | 0.104 | 1 | 0.5 |
| Echinococcus granulosus | sodium bile acid cotransporter | 0.104 | 1 | 0.5 |
| Loa Loa (eye worm) | hypothetical protein | 0.104 | 1 | 0.5 |
Activities
| Activity type | Activity value | Assay description | Source | Reference |
|---|---|---|---|---|
| GI (functional) | = 30 % | Growth inhibition of human A549 cells at 10 uM after 48 hrs by coulter counter method | ChEMBL. | 21051122 |
| GI (functional) | = 30 % | Growth inhibition of human HOP92 cells at 10 uM after 48 hrs by coulter counter method | ChEMBL. | 21051122 |
| GI (functional) | = 30 % | Growth inhibition of human NCI-H226 cells at 10 uM after 48 hrs by coulter counter method | ChEMBL. | 21051122 |
| GI (functional) | = 30 % | Growth inhibition of human NCI-H23 cells at 10 uM after 48 hrs by coulter counter method | ChEMBL. | 21051122 |
| GI (functional) | = 30 % | Growth inhibition of human NCI-H522 cells at 10 uM after 48 hrs by coulter counter method | ChEMBL. | 21051122 |
| GI (functional) | = 30 % | Growth inhibition of human COLO205 cells at 10 uM after 48 hrs by coulter counter method | ChEMBL. | 21051122 |
| GI (functional) | = 30 % | Growth inhibition of human HCT116 cells at 10 uM after 48 hrs by coulter counter method | ChEMBL. | 21051122 |
| GI (functional) | = 30 % | Growth inhibition of human KM12 cells at 10 uM after 48 hrs by coulter counter method | ChEMBL. | 21051122 |
| GI (functional) | = 30 % | Growth inhibition of human SF268 cells at 10 uM after 48 hrs by coulter counter method | ChEMBL. | 21051122 |
| GI (functional) | = 30 % | Growth inhibition of human SF539 cells at 10 uM after 48 hrs by coulter counter method | ChEMBL. | 21051122 |
| GI (functional) | = 30 % | Growth inhibition of human SNB75 cells at 10 uM after 48 hrs by coulter counter method | ChEMBL. | 21051122 |
| GI (functional) | = 30 % | Growth inhibition of human U251 cells at 10 uM after 48 hrs by coulter counter method | ChEMBL. | 21051122 |
| GI (functional) | = 30 % | Growth inhibition of human M14 cells at 10 uM after 48 hrs by coulter counter method | ChEMBL. | 21051122 |
| GI (functional) | = 30 % | Growth inhibition of human SK-MEL-2 cells at 10 uM after 48 hrs by coulter counter method | ChEMBL. | 21051122 |
| GI (functional) | = 30 % | Growth inhibition of human SK-MEL-28 cells at 10 uM after 48 hrs by coulter counter method | ChEMBL. | 21051122 |
| GI (functional) | = 30 % | Growth inhibition of human UACC62 cells at 10 uM after 48 hrs by coulter counter method | ChEMBL. | 21051122 |
| GI (functional) | = 30 % | Growth inhibition of human IGROV1 cells at 10 uM after 48 hrs by coulter counter method | ChEMBL. | 21051122 |
| GI (functional) | = 30 % | Growth inhibition of human OVCAR4 cells at 10 uM after 48 hrs by coulter counter method | ChEMBL. | 21051122 |
| GI (functional) | = 30 % | Growth inhibition of human OVCAR8 cells at 10 uM after 48 hrs by coulter counter method | ChEMBL. | 21051122 |
| GI (functional) | = 30 % | Growth inhibition of human SKOV3 cells at 10 uM after 48 hrs by coulter counter method | ChEMBL. | 21051122 |
| GI (functional) | = 30 % | Growth inhibition of human 786-0 cells at 10 uM after 48 hrs by coulter counter method | ChEMBL. | 21051122 |
| GI (functional) | = 30 % | Growth inhibition of human Caki1 cells at 10 uM after 48 hrs by coulter counter method | ChEMBL. | 21051122 |
| GI (functional) | = 30 % | Growth inhibition of human SN12C cells at 10 uM after 48 hrs by coulter counter method | ChEMBL. | 21051122 |
| GI (functional) | = 30 % | Growth inhibition of human UO31 cells at 10 uM after 48 hrs by coulter counter method | ChEMBL. | 21051122 |
| GI (functional) | = 30 % | Growth inhibition of human MCF7 cells at 10 uM after 48 hrs by coulter counter method | ChEMBL. | 21051122 |
| GI (functional) | = 30 % | Growth inhibition of human MDA-MB-231 cells at 10 uM after 48 hrs by coulter counter method | ChEMBL. | 21051122 |
| GI (functional) | = 30 % | Growth inhibition of human MDA-MB-468 cells at 10 uM after 48 hrs by coulter counter method | ChEMBL. | 21051122 |
| GI (functional) | = 31.4 % | Growth inhibition of human MOLT4 cells at 10 uM after 48 hrs by coulter counter method | ChEMBL. | 21051122 |
| GI (functional) | = 32 % | Growth inhibition of human HL-60(TB) cells at 10 uM after 48 hrs by coulter counter method | ChEMBL. | 21051122 |
| GI (functional) | = 44.1 % | Growth inhibition of human K562 cells at 10 uM after 48 hrs by coulter counter method | ChEMBL. | 21051122 |
| GI (functional) | = 47 % | Growth inhibition of human T47D cells at 10 uM after 48 hrs by coulter counter method | ChEMBL. | 21051122 |
| GI (functional) | = 50.3 % | Growth inhibition of human PC3 cells at 10 uM after 48 hrs by coulter counter method | ChEMBL. | 21051122 |
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: CHEMBL1630037
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.