Compound Detail
CHEMBL5823233
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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)Cc1ccccc1)C(=O)CO
Basic Information
| ChEMBL ID | CHEMBL5823233 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | GKOSFTMRSQQXMO-KAQKJVHQSA-N |
1
Targets
1
Activities
1
Assay Types
0
PK Parameters
0
Publications
0
Known Names
Molecular Properties
480.6
MW (Da)
3.58
ALogP
6
HBA
2
HBD
100.9
PSA (Ų)
0.63
QED
0
Ro5 Violations
5
Rot. Bonds
Drug Information
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
EC50 1 meas. best 8.54
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| Mineralocorticoid receptor CHEMBL1994 | EC50 | 8.54 | 8.54 | 2.9 | 1 |
Activity Data Samples
Top measurements by pChEMBL value
| Target | Type | Rel. | Value | Units | pChEMBL | Assay | PubMed |
|---|---|---|---|---|---|---|---|
| Mineralocorticoid receptor | EC50 | = | 2.85 | nM | 8.54 | Mineralocorticoid Receptor Transactivation Potencies for Cortisol and 17-ester D... | - |
Data from ChEMBL 36 via Core Engine