Compound Detail
CHEMBL393309
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C[C@]12Cc3cnn(-c4ccc(F)cc4)c3C=C1CC[C@@H]2[C@H](O)c1cc2ccccc2s1
Basic Information
| ChEMBL ID | CHEMBL393309 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | XKKUGGUSZYRUML-NYMACZPPSA-N |
1
Targets
1
Activities
1
Assay Types
0
PK Parameters
2
Publications
0
Known Names
Molecular Properties
430.6
MW (Da)
6.32
ALogP
4
HBA
1
HBD
38.0
PSA (Ų)
0.41
QED
1
Ro5 Violations
3
Rot. Bonds
Drug Information
| Molecule Type | Small molecule |
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
IC50 1 meas. best 6.16
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| Unchecked CHEMBL612545 | IC50 | 6.16 | 6.16 | 689.0 | 1 |
Activity Data Samples
Top measurements by pChEMBL value
| Target | Type | Rel. | Value | Units | pChEMBL | Assay | PubMed |
|---|---|---|---|---|---|---|---|
| Unchecked | IC50 | = | 689.0 | nM | 6.16 | Displacement of [3H]dexamethasone from human glucocorticoid receptor alpha | 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