Compound Detail
CHEMBL1092578
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@]12CCC(=O)C=C1CCC1[C@@H]2[C@@H](O)C[C@@]2(C)[C@H]1CC[C@]2(O)C(=O)CO
Basic Information
| ChEMBL ID | CHEMBL1092578 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | JYGXADMDTFJGBT-ZSWZSQRESA-N |
1
Targets
1
Activities
1
Assay Types
0
PK Parameters
1
Publications
0
Known Names
Molecular Properties
362.5
MW (Da)
1.78
ALogP
5
HBA
3
HBD
94.8
PSA (Ų)
0.70
QED
0
Ro5 Violations
2
Rot. Bonds
Drug Information
| Molecule Type | Small molecule |
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
Ki 1 meas. best 7.52
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| Glucocorticoid receptor CHEMBL2034 | Ki | 7.52 | 7.52 | 30.0 | 1 |
Activity Data Samples
Top measurements by pChEMBL value
| Target | Type | Rel. | Value | Units | pChEMBL | Assay | PubMed |
|---|---|---|---|---|---|---|---|
| Glucocorticoid receptor | Ki | = | 30.0 | nM | 7.52 | Displacement of [3H]DEX from human glucocorticoid receptor | 20334371 |
Literature References
| PubMed | DOI | Target Context | # Activities |
|---|---|---|---|
| 20334371 | 10.1021/jm901452y | Glucocorticoid receptor | 2 |
Data from ChEMBL 36 via Core Engine