Compound Detail
CHEMBL5194382
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C[C@]12Cc3cnn(-c4ccc(F)cc4)c3C=C1CCC[C@@H]2[C@@H](O)c1c(F)c(F)c(F)c(F)c1F
Basic Information
| ChEMBL ID | CHEMBL5194382 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | SSRKMRKOAIRANV-YBEMNCNDSA-N |
1
Targets
2
Activities
2
Assay Types
0
PK Parameters
1
Publications
0
Known Names
Molecular Properties
478.4
MW (Da)
6.19
ALogP
3
HBA
1
HBD
38.0
PSA (Ų)
0.28
QED
1
Ro5 Violations
3
Rot. Bonds
Drug Information
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
EC50 1 meas. best 6.6
IC50 1 meas. best 7.5
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| Glucocorticoid receptor CHEMBL3368 | IC50 | 7.5 | 7.5 | 31.6 | 1 |
| Glucocorticoid receptor CHEMBL3368 | EC50 | 6.6 | 6.6 | 251.2 | 1 |
Activity Data Samples
Top measurements by pChEMBL value
| Target | Type | Rel. | Value | Units | pChEMBL | Assay | PubMed |
|---|---|---|---|---|---|---|---|
| Glucocorticoid receptor | IC50 | = | 31.62 | nM | 7.5 | Agonist activity at glucocorticoid receptor in rat INS-1 832/13 cells transfecte... | 36105346 |
| Glucocorticoid receptor | EC50 | = | 251.19 | nM | 6.6 | Agonist activity at glucocorticoid receptor in rat INS-1 832/13 cells transfecte... | 36105346 |
Literature References
| PubMed | DOI | Target Context | # Activities |
|---|---|---|---|
| 36105346 | 10.1021/acsmedchemlett.2c00299 | Glucocorticoid receptor | 8 |
Data from ChEMBL 36 via Core Engine