Compound Detail
CHEMBL5440345
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C=C1CC[C@@H]2OC(=O)C=C(C[C@]3(C)CC(=O)O[C@H]3CO)C(=O)[C@]2(C)[C@@H]1C
Basic Information
| ChEMBL ID | CHEMBL5440345 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | ZSPCFGKBFXQSDB-DMIHOJOZSA-N |
1
Targets
1
Activities
1
Assay Types
0
PK Parameters
2
Publications
0
Known Names
Molecular Properties
362.4
MW (Da)
2.10
ALogP
6
HBA
1
HBD
89.9
PSA (Ų)
0.61
QED
0
Ro5 Violations
3
Rot. Bonds
Drug Information
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
IC50 1 meas. best 5.38
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| Monocyte CHEMBL5314323 | IC50 | 5.38 | 5.38 | 4200.0 | 1 |
Activity Data Samples
Top measurements by pChEMBL value
| Target | Type | Rel. | Value | Units | pChEMBL | Assay | PubMed |
|---|---|---|---|---|---|---|---|
| Monocyte | IC50 | = | 4200.0 | nM | 5.38 | Anti-osteoclastogensis in C57BL/6 mouse bone marrow monocytes assessed as inhibi... | 38194474 |
Literature References
| PubMed | DOI | Target Context | # Activities |
|---|---|---|---|
| 38194474 | 10.1021/acs.jnatprod.3c00892 | Unchecked | 5 |
| 38194474 | 10.1021/acs.jnatprod.3c00892 | Monocyte | 3 |
Data from ChEMBL 36 via Core Engine