Compound Detail
CHEMBL338686
METHANESULFONIC ACID ETHYL ESTER Enter ChEMBL ID:
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Basic Information
| ChEMBL ID | CHEMBL338686 |
| Name | METHANESULFONIC ACID ETHYL ESTER |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | PLUBXMRUUVWRLT-UHFFFAOYSA-N |
1
Targets
1
Activities
1
Assay Types
0
PK Parameters
4
Publications
0
Known Names
Molecular Properties
124.2
MW (Da)
-0.02
ALogP
3
HBA
0
HBD
43.4
PSA (Ų)
0.49
QED
0
Ro5 Violations
2
Rot. Bonds
Drug Information
| Molecule Type | Small molecule |
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
IC50 1 meas. best 5.17
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| CHO-AA8 CHEMBL614555 | IC50 | 5.17 | 5.17 | 6800.0 | 1 |
Activity Data Samples
Top measurements by pChEMBL value
| Target | Type | Rel. | Value | Units | pChEMBL | Assay | PubMed |
|---|---|---|---|---|---|---|---|
| CHO-AA8 | IC50 | = | 6800.0 | nM | 5.17 | Inhibitory activity of compound for AA8 cells to reduce cell density by 50% (exp... | 2909741 |
Literature References
| PubMed | DOI | Target Context | # Activities |
|---|---|---|---|
| 2909741 | 10.1021/jm00121a007 | Unchecked | 3 |
| 23567963 | 10.1016/j.ejmech.2013.03.023 | ADMET | 2 |
| 2909741 | 10.1021/jm00121a007 | CHO-AA8 | 1 |
| 21626654 | 10.1002/ps.2208 | Drosophila melanogaster | 1 |
Data from ChEMBL 36 via Core Engine