Compound Detail
CHEMBL6029929
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C[C@]12CCC(=O)C=C1CC[C@@H]1[C@@H]2[C@@H](O)C[C@@]2(C)[C@H]1CC[C@]2(OC(=O)c1ccccc1)C(=O)CO
Basic Information
| ChEMBL ID | CHEMBL6029929 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | LPEYMYDYPGRLBU-YGZHYJPASA-N |
2
Targets
2
Activities
1
Assay Types
0
PK Parameters
0
Publications
0
Known Names
Molecular Properties
466.6
MW (Da)
3.65
ALogP
6
HBA
2
HBD
100.9
PSA (Ų)
0.66
QED
0
Ro5 Violations
4
Rot. Bonds
Drug Information
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
EC50 2 meas. best 8.85
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| Unchecked CHEMBL612545 | EC50 | 8.85 | 8.85 | 1.4 | 1 |
| Mineralocorticoid receptor CHEMBL1994 | EC50 | 8.13 | 8.13 | 7.5 | 1 |
Activity Data Samples
Top measurements by pChEMBL value
| Target | Type | Rel. | Value | Units | pChEMBL | Assay | PubMed |
|---|---|---|---|---|---|---|---|
| Unchecked | EC50 | = | 1.41 | nM | 8.85 | Glucocorticoid Receptor Transactivation Potencies for Cortisol and 17-ester Deri... | - |
| Mineralocorticoid receptor | EC50 | = | 7.46 | nM | 8.13 | Mineralocorticoid Receptor Transactivation Potencies for Cortisol and 17-ester D... | - |
Data from ChEMBL 36 via Core Engine