Compound Detail
CHEMBL6031431
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CCCC1O[C@@H]2C[C@H]3[C@@H]4CCC5=Cc6c(cnn6-c6ccc(OCCCCP(=O)(O)O)cc6)C[C@]5(C)[C@H]4[C@@H](O)C[C@]3(C)[C@]2(C(=O)CO)O1
Basic Information
| ChEMBL ID | CHEMBL6031431 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | JZDXQIACRWWJNM-YBKZNHCISA-N |
2
Targets
2
Activities
1
Assay Types
0
PK Parameters
0
Publications
0
Known Names
Molecular Properties
684.8
MW (Da)
4.81
ALogP
9
HBA
4
HBD
160.6
PSA (Ų)
0.19
QED
1
Ro5 Violations
11
Rot. Bonds
Drug Information
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
IC50 2 meas. best 8.62
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| Glucocorticoid receptor CHEMBL2034 | IC50 | 8.62 | 8.62 | 2.4 | 1 |
| Unchecked CHEMBL612545 | IC50 | 8.62 | 8.62 | 2.4 | 1 |
Activity Data Samples
Top measurements by pChEMBL value
| Target | Type | Rel. | Value | Units | pChEMBL | Assay | PubMed |
|---|---|---|---|---|---|---|---|
| Unchecked | IC50 | = | 2.4 | nM | 8.62 | GILZ gene assays: HUT78 cells were cultured in IMEM plus 20% heat inactivated FB... | - |
| Glucocorticoid receptor | IC50 | = | 2.4 | nM | 8.62 | Glucocorticoid Receptor Competitor Assay: The potency of binding to gucocorticoi... | - |
Data from ChEMBL 36 via Core Engine