Compound Detail
CHEMBL518162
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C[C@@H]1CC[C@]2(C(=O)O)CC[C@]3(C)C(=CC[C@@H]4[C@@]5(C)[C@H](O)[C@@H](O)C(=O)C(C)(C)[C@@H]5CC[C@]43C)[C@@H]2[C@]1(C)O
Basic Information
| ChEMBL ID | CHEMBL518162 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | DOADEZLVINXRRP-KZJJSQHKSA-N |
1
Targets
1
Activities
1
Assay Types
0
PK Parameters
1
Publications
0
Known Names
Molecular Properties
502.7
MW (Da)
4.35
ALogP
5
HBA
4
HBD
115.1
PSA (Ų)
0.40
QED
1
Ro5 Violations
1
Rot. Bonds
Drug Information
| Molecule Type | Small molecule |
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
IC50 1 meas. best 4.57
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| NON-PROTEIN TARGET CHEMBL3879801 | IC50 | 4.57 | 4.57 | 26900.0 | 1 |
Activity Data Samples
Top measurements by pChEMBL value
| Target | Type | Rel. | Value | Units | pChEMBL | Assay | PubMed |
|---|---|---|---|---|---|---|---|
| NON-PROTEIN TARGET | IC50 | = | 26900.0 | nM | 4.57 | Antiinflammatory activity in human PMNC assessed as inhibition of proliferation | 11473413 |
Literature References
| PubMed | DOI | Target Context | # Activities |
|---|---|---|---|
| 11473413 | 10.1021/np0100237 | NON-PROTEIN TARGET | 1 |
Data from ChEMBL 36 via Core Engine