Compound Detail
CHEMBL93948
Enter ChEMBL ID:
Free Research Context
This compound will appear in recent viewed items on the research home for this browser.
Research home
View demo workspace
C[C@@H]1C[C@@]2(C)C(=CC1=O)CC[C@H]1[C@@H]3CC[C@](O)(C(=O)CO)[C@@]3(C)C[C@H](O)[C@@]12F
Basic Information
| ChEMBL ID | CHEMBL93948 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | YUCOGNZKLOYCGL-CPEVGGJCSA-N |
1
Targets
1
Activities
1
Assay Types
0
PK Parameters
9
Publications
0
Known Names
Molecular Properties
394.5
MW (Da)
2.12
ALogP
5
HBA
3
HBD
94.8
PSA (Ų)
0.67
QED
0
Ro5 Violations
2
Rot. Bonds
Drug Information
| Molecule Type | Small molecule |
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
Ki 1 meas. best 5.8
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| Corticosteroid-binding globulin CHEMBL2421 | Ki | 5.8 | 5.8 | 1584.9 | 1 |
Activity Data Samples
Top measurements by pChEMBL value
| Target | Type | Rel. | Value | Units | pChEMBL | Assay | PubMed |
|---|---|---|---|---|---|---|---|
| Corticosteroid-binding globulin | Ki | = | 1584.89 | nM | 5.8 | Binding affinity to human CBG receptor (corticosteroid-binding globulins) | 15139751 |
Literature References
| PubMed | DOI | Target Context | # Activities |
|---|---|---|---|
| 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 |
| 10966742 | 10.1021/jm000941m | Corticosteroid-binding globulin | 1 |
| 12672239 | 10.1021/jm021077w | Corticosteroid-binding globulin | 1 |
Data from ChEMBL 36 via Core Engine