Compound Detail
CHEMBL5273581
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Basic Information
| ChEMBL ID | CHEMBL5273581 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | JMCMEHFMCUZWDJ-UHFFFAOYSA-N |
1
Targets
1
Activities
1
Assay Types
0
PK Parameters
3
Publications
0
Known Names
Molecular Properties
273.3
MW (Da)
4.55
ALogP
2
HBA
1
HBD
25.2
PSA (Ų)
0.57
QED
0
Ro5 Violations
2
Rot. Bonds
Drug Information
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
IC50 1 meas. best 5.01
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| Plasma membrane ATPase 1 CHEMBL5291521 | IC50 | 5.01 | 5.01 | 9700.0 | 1 |
Activity Data Samples
Top measurements by pChEMBL value
| Target | Type | Rel. | Value | Units | pChEMBL | Assay | PubMed |
|---|---|---|---|---|---|---|---|
| Plasma membrane ATPase 1 | IC50 | = | 9700.0 | nM | 5.01 | Inhibition of Saccharomyces cerevisiae H+ ATPase pma1 isoform assessed as ATP hy... | 28893470 |
Literature References
| PubMed | DOI | Target Context | # Activities |
|---|---|---|---|
| 28893470 | 10.1016/j.bmcl.2017.08.067 | Plasma membrane ATPase 1 | 1 |
| 28893470 | 10.1016/j.bmcl.2017.08.067 | Saccharomyces cerevisiae | 1 |
| 28893470 | 10.1016/j.bmcl.2017.08.067 | Candida albicans | 1 |
Data from ChEMBL 36 via Core Engine