Compound Detail
CHEMBL5267780
Enter ChEMBL ID:
Free Research Context
This compound will appear in recent viewed items on the research home for this browser.
Research home
View demo workspace
Basic Information
| ChEMBL ID | CHEMBL5267780 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | ZLGZTFGFDMPKQI-UHFFFAOYSA-N |
2
Targets
4
Activities
1
Assay Types
0
PK Parameters
10
Publications
0
Known Names
Molecular Properties
363.3
MW (Da)
4.82
ALogP
3
HBA
0
HBD
17.4
PSA (Ų)
0.66
QED
0
Ro5 Violations
4
Rot. Bonds
Drug Information
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
IC50 4 meas. best 5.23
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| Unchecked CHEMBL612545 | IC50 | 5.23 | 4.83 | 5900.0 | 3 |
| Plasma membrane ATPase 1 CHEMBL5291521 | IC50 | 4.96 | 4.96 | 11100.0 | 1 |
Activity Data Samples
Top measurements by pChEMBL value
| Target | Type | Rel. | Value | Units | pChEMBL | Assay | PubMed |
|---|---|---|---|---|---|---|---|
| Unchecked | IC50 | = | 5900.0 | nM | 5.23 | Inhibition of Candida albicans H+ ATPase assessed as ATP hydrolysis incubated fo... | 28893470 |
| Unchecked | IC50 | = | 7700.0 | nM | 5.11 | Inhibition of mammalia NA+/K+ ATPase assessed as ATP hydrolysis incubated for 30... | 28893470 |
| Plasma membrane ATPase 1 | IC50 | = | 11100.0 | nM | 4.96 | Inhibition of Saccharomyces cerevisiae H+ ATPase pma1 isoform assessed as ATP hy... | 28893470 |
| Unchecked | IC50 | = | 70900.0 | nM | 4.15 | Inhibition of mammalia H+ ATPase assessed as ATP hydrolysis incubated for 30 min... | 28893470 |
Literature References
| PubMed | DOI | Target Context | # Activities |
|---|---|---|---|
| 28893470 | 10.1016/j.bmcl.2017.08.067 | Nakaseomyces glabratus | 4 |
| 28893470 | 10.1016/j.bmcl.2017.08.067 | Unchecked | 3 |
| 28893470 | 10.1016/j.bmcl.2017.08.067 | Saccharomyces cerevisiae | 2 |
| 28893470 | 10.1016/j.bmcl.2017.08.067 | Candida albicans | 2 |
| 28893470 | 10.1016/j.bmcl.2017.08.067 | Pichia kudriavzevii | 2 |
| 28893470 | 10.1016/j.bmcl.2017.08.067 | Escherichia coli | 1 |
| 28893470 | 10.1016/j.bmcl.2017.08.067 | Aspergillus fumigatus | 1 |
| 28893470 | 10.1016/j.bmcl.2017.08.067 | Aspergillus flavus | 1 |
| 28893470 | 10.1016/j.bmcl.2017.08.067 | Staphylococcus aureus | 1 |
| 28893470 | 10.1016/j.bmcl.2017.08.067 | Plasma membrane ATPase 1 | 1 |
Data from ChEMBL 36 via Core Engine