Compound Detail
CHEMBL5749792
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CCC(=O)O[C@]1(C(=O)CO)CC[C@H]2[C@@H]3CCC4=CC(=O)CC[C@]4(C)[C@H]3[C@@H](O)C[C@@]21C
Basic Information
| ChEMBL ID | CHEMBL5749792 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | JZUOTTDVXIVTTR-RPPPWEFESA-N |
2
Targets
2
Activities
1
Assay Types
0
PK Parameters
0
Publications
0
Known Names
Molecular Properties
418.5
MW (Da)
2.74
ALogP
6
HBA
2
HBD
100.9
PSA (Ų)
0.68
QED
0
Ro5 Violations
4
Rot. Bonds
Drug Information
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
EC50 2 meas. best 8.5
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| Mineralocorticoid receptor CHEMBL1994 | EC50 | 8.5 | 8.5 | 3.2 | 1 |
| Unchecked CHEMBL612545 | EC50 | 8.2 | 8.2 | 6.3 | 1 |
Activity Data Samples
Top measurements by pChEMBL value
| Target | Type | Rel. | Value | Units | pChEMBL | Assay | PubMed |
|---|---|---|---|---|---|---|---|
| Mineralocorticoid receptor | EC50 | = | 3.17 | nM | 8.5 | Mineralocorticoid Receptor Transactivation Potencies for Cortisol and 17-ester D... | - |
| Unchecked | EC50 | = | 6.31 | nM | 8.2 | Glucocorticoid Receptor Transactivation Potencies for Cortisol and 17-ester Deri... | - |
Data from ChEMBL 36 via Core Engine