Compound Detail
CHEMBL2311120
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CC(=O)[C@@]1(O)[C@H](O)C[C@H]2[C@@H]3CCC4=CC(=O)CC[C@]4(C)[C@H]3CC[C@@]21C
Basic Information
| ChEMBL ID | CHEMBL2311120 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | CXDWHYOBSJTRJU-SRWWVFQWSA-N |
1
Targets
1
Activities
1
Assay Types
0
PK Parameters
9
Publications
0
Known Names
Molecular Properties
346.5
MW (Da)
2.81
ALogP
4
HBA
2
HBD
74.6
PSA (Ų)
0.77
QED
0
Ro5 Violations
1
Rot. Bonds
Drug Information
| Molecule Type | Small molecule |
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
Ki 1 meas. best 6.25
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| Corticosteroid-binding globulin CHEMBL2421 | Ki | 6.25 | 6.25 | 562.3 | 1 |
Activity Data Samples
Top measurements by pChEMBL value
| Target | Type | Rel. | Value | Units | pChEMBL | Assay | PubMed |
|---|---|---|---|---|---|---|---|
| Corticosteroid-binding globulin | Ki | = | 562.34 | nM | 6.25 | Binding affinity to human CBG receptor (corticosteroid-binding globulins) | 15139751 |
Literature References
| PubMed | DOI | Target Context | # Activities |
|---|---|---|---|
| 8474098 | 10.1021/jm00056a002 | Corticosteroid-binding globulin | 1 |
| 8667357 | 10.1021/jm950589q | Corticosteroid-binding globulin | 1 |
| 8057280 | 10.1021/jm00041a010 | Corticosteroid-binding globulin | 1 |
| 9651159 | 10.1021/jm970732a | Corticosteroid-binding globulin | 1 |
| 10052964 | 10.1021/jm9810607 | Corticosteroid-binding globulin | 1 |
| 9379435 | 10.1021/jm970211n | Corticosteroid-binding globulin | 1 |
| 15139751 | 10.1021/jm030364c | Corticosteroid-binding globulin | 1 |
| 9435904 | 10.1021/jm970487v | Corticosteroid-binding globulin | 1 |
| 12672239 | 10.1021/jm021077w | Corticosteroid-binding globulin | 1 |
Data from ChEMBL 36 via Core Engine