Compound Detail
CHEMBL4852218
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CC(=O)[C@H]1CC[C@H]2[C@@H]3CC[C@H]4C[C@@H](OC(=O)Cc5ccc(C(=O)c6ccccc6)cc5)CC[C@]4(C)[C@H]3CC[C@]12C
Basic Information
| ChEMBL ID | CHEMBL4852218 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | GGZOOOUVVHLXBS-RKWXFARJSA-N |
1
Targets
1
Activities
1
Assay Types
0
PK Parameters
1
Publications
0
Known Names
Molecular Properties
540.7
MW (Da)
7.62
ALogP
4
HBA
0
HBD
60.4
PSA (Ų)
0.28
QED
2
Ro5 Violations
6
Rot. Bonds
Drug Information
| Molecule Type | Unknown |
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
IC50 1 meas. best 5.76
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| Unchecked CHEMBL612545 | IC50 | 5.76 | 5.76 | 1730.0 | 1 |
Activity Data Samples
Top measurements by pChEMBL value
| Target | Type | Rel. | Value | Units | pChEMBL | Assay | PubMed |
|---|---|---|---|---|---|---|---|
| Unchecked | IC50 | = | 1730.0 | nM | 5.76 | Inhibition of GST-tagged recombinant RANKL/M-CSF-induced osteoclastogenesis in C... | 33158578 |
Literature References
| PubMed | DOI | Target Context | # Activities |
|---|---|---|---|
| 33158578 | 10.1016/j.ejmech.2020.112982 | Unchecked | 1 |
Data from ChEMBL 36 via Core Engine