Compound Detail
CHEMBL439386
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C[C@]12Cc3cnn(-c4ccc(F)cc4)c3C=C1CC[C@@H]2[C@@H](O)c1cccc2ccccc12
Basic Information
| ChEMBL ID | CHEMBL439386 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | FWLWRHKXDGEBTC-PKXQUSJVSA-N |
2
Targets
4
Activities
2
Assay Types
0
PK Parameters
2
Publications
0
Known Names
Molecular Properties
424.5
MW (Da)
6.25
ALogP
3
HBA
1
HBD
38.0
PSA (Ų)
0.42
QED
1
Ro5 Violations
3
Rot. Bonds
Drug Information
| Molecule Type | Small molecule |
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
EC50 3 meas. best 7.34
IC50 1 meas. best 8.3
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| Unchecked CHEMBL612545 | IC50 | 8.3 | 8.3 | 5.0 | 1 |
| Glucocorticoid receptor CHEMBL2034 | EC50 | 7.34 | 7.2767 | 46.0 | 3 |
Activity Data Samples
Top measurements by pChEMBL value
| Target | Type | Rel. | Value | Units | pChEMBL | Assay | PubMed |
|---|---|---|---|---|---|---|---|
| Unchecked | IC50 | = | 5.0 | nM | 8.3 | Displacement of [3H]dexamethasone from human glucocorticoid receptor alpha | 17467988 |
| Glucocorticoid receptor | EC50 | = | 46.0 | nM | 7.34 | Activity at human glucocorticoid receptor in C57BI/6 mouse peritoneal exudate ce... | 17467988 |
| Glucocorticoid receptor | EC50 | = | 48.0 | nM | 7.32 | Activity at human glucocorticoid receptor in human A549 cells assessed as repres... | 17467988 |
| Glucocorticoid receptor | EC50 | = | 68.0 | nM | 7.17 | Activity at human glucocorticoid receptor in C2C12 cells assessed as mouse gluta... | 17467988 |
Literature References
| PubMed | DOI | Target Context | # Activities |
|---|---|---|---|
| 17467988 | 10.1016/j.bmcl.2007.03.103 | Glucocorticoid receptor | 8 |
| 17467988 | 10.1016/j.bmcl.2007.03.103 | Unchecked | 1 |
Data from ChEMBL 36 via Core Engine