Compound Detail
CHEMBL432825
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CC1C[C@@]2(C)C(=CC1=O)CC[C@@H]1[C@@H]2C(=O)C[C@@]2(C)[C@H]1CC[C@]2(O)C(=O)CO
Basic Information
| ChEMBL ID | CHEMBL432825 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | OIGPMJCLTDSPPN-KAHGZSNJSA-N |
1
Targets
1
Activities
1
Assay Types
0
PK Parameters
1
Publications
0
Known Names
Molecular Properties
374.5
MW (Da)
2.24
ALogP
5
HBA
2
HBD
91.7
PSA (Ų)
0.77
QED
0
Ro5 Violations
2
Rot. Bonds
Drug Information
| Molecule Type | Small molecule |
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
Ki 1 meas. best 7.69
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| Corticosteroid-binding globulin CHEMBL2421 | Ki | 7.69 | 7.69 | 20.4 | 1 |
Activity Data Samples
Top measurements by pChEMBL value
| Target | Type | Rel. | Value | Units | pChEMBL | Assay | PubMed |
|---|---|---|---|---|---|---|---|
| Corticosteroid-binding globulin | Ki | = | 20.42 | nM | 7.69 | Binding affinity to human CBG receptor (corticosteroid-binding globulins) | 15139751 |
Literature References
| PubMed | DOI | Target Context | # Activities |
|---|---|---|---|
| 15139751 | 10.1021/jm030364c | Corticosteroid-binding globulin | 1 |
Data from ChEMBL 36 via Core Engine