Compound Detail
CHEMBL2069018
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C[C@]12CC[C@H](SCC[N+](C)(C)C)C[C@H]1CC[C@@H]1[C@@H]2CC[C@]2(C)[C@@H](C3=CC(=O)OC3)CC[C@]12O
Basic Information
| ChEMBL ID | CHEMBL2069018 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | ATXDFQQYQWGXMX-WRUTXJEYSA-N |
1
Targets
1
Activities
1
Assay Types
0
PK Parameters
1
Publications
0
Known Names
Molecular Properties
476.8
MW (Da)
5.05
ALogP
4
HBA
1
HBD
46.5
PSA (Ų)
0.45
QED
1
Ro5 Violations
5
Rot. Bonds
Drug Information
| Molecule Type | Small molecule |
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
IC50 1 meas. best 7.0
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| Unchecked CHEMBL612545 | IC50 | 7.0 | 7.0 | 100.0 | 1 |
Activity Data Samples
Top measurements by pChEMBL value
| Target | Type | Rel. | Value | Units | pChEMBL | Assay | PubMed |
|---|---|---|---|---|---|---|---|
| Unchecked | IC50 | = | 100.0 | nM | 7.0 | Displacement of [3H]ouabain binding from Na+,K+ -ATPase receptor isolated from d... | - |
Literature References
| PubMed | DOI | Target Context | # Activities |
|---|---|---|---|
| - | 10.1016/S0960-894X(97)00039-5 | Unchecked | 1 |
Data from ChEMBL 36 via Core Engine