Compound Detail
CHEMBL284253
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CC(=O)[C@H]1CC[C@H]2[C@@H]3CCC4=CC(=O)CC[C@]4(C)[C@H]3C(=O)C[C@]12C
Basic Information
| ChEMBL ID | CHEMBL284253 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | WKAVAGKRWFGIEA-DADBAOPHSA-N |
1
Targets
1
Activities
1
Assay Types
0
PK Parameters
12
Publications
0
Known Names
Molecular Properties
328.4
MW (Da)
3.90
ALogP
3
HBA
0
HBD
51.2
PSA (Ų)
0.73
QED
0
Ro5 Violations
1
Rot. Bonds
Drug Information
| Molecule Type | Small molecule |
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
Ki 1 meas. best 6.78
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| Corticosteroid-binding globulin CHEMBL2421 | Ki | 6.78 | 6.78 | 166.0 | 1 |
Activity Data Samples
Top measurements by pChEMBL value
| Target | Type | Rel. | Value | Units | pChEMBL | Assay | PubMed |
|---|---|---|---|---|---|---|---|
| Corticosteroid-binding globulin | Ki | = | 165.96 | nM | 6.78 | Binding affinity to human CBG receptor (corticosteroid-binding globulins) | 15139751 |
Literature References
| PubMed | DOI | Target Context | # Activities |
|---|---|---|---|
| 926114 | 10.1021/jm00219a006 | Progesterone receptor | 3 |
| 8667357 | 10.1021/jm950589q | Corticosteroid-binding globulin | 1 |
| 8474098 | 10.1021/jm00056a002 | Corticosteroid-binding globulin | 1 |
| 8057280 | 10.1021/jm00041a010 | Corticosteroid-binding globulin | 1 |
| 9651159 | 10.1021/jm970732a | Corticosteroid-binding globulin | 1 |
| 9379435 | 10.1021/jm970211n | Corticosteroid-binding globulin | 1 |
| 10052964 | 10.1021/jm9810607 | Corticosteroid-binding globulin | 1 |
| 15139751 | 10.1021/jm030364c | Corticosteroid-binding globulin | 1 |
| 9435904 | 10.1021/jm970487v | Corticosteroid-binding globulin | 1 |
| 10966742 | 10.1021/jm000941m | Corticosteroid-binding globulin | 1 |
| 12672239 | 10.1021/jm021077w | Corticosteroid-binding globulin | 1 |
| 926114 | 10.1021/jm00219a006 | Unchecked | 1 |
Data from ChEMBL 36 via Core Engine