Compound Detail
CHEMBL2114217
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
C[C@]12CC[C@H](O[C@@H]3O[C@@H](CO)[C@H](O)[C@H](O)[C@@H]3O)CC1CC[C@@H]1[C@@H]2CC[C@]2(C)[C@@H](C3=CC(=O)OC3)CC[C@@]12O
Basic Information
| ChEMBL ID | CHEMBL2114217 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | CMHWMOGWFZWDMR-FUAUCIRCSA-N |
1
Targets
1
Activities
1
Assay Types
0
PK Parameters
1
Publications
0
Known Names
Molecular Properties
536.7
MW (Da)
1.43
ALogP
9
HBA
5
HBD
145.9
PSA (Ų)
0.27
QED
1
Ro5 Violations
4
Rot. Bonds
Drug Information
| Molecule Type | Small molecule |
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
IC50 1 meas. best 7.19
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| Unchecked CHEMBL612545 | IC50 | 7.19 | 7.19 | 64.5 | 1 |
Activity Data Samples
Top measurements by pChEMBL value
| Target | Type | Rel. | Value | Units | pChEMBL | Assay | PubMed |
|---|---|---|---|---|---|---|---|
| Unchecked | IC50 | = | 64.5 | nM | 7.19 | Inhibitory activity against Hog kidney Na+, K+ -Dependent ATPase | 6321733 |
Literature References
| PubMed | DOI | Target Context | # Activities |
|---|---|---|---|
| 6321733 | 10.1021/jm00369a004 | Unchecked | 1 |
Data from ChEMBL 36 via Core Engine