Compound Detail
CHEMBL583858
Enter ChEMBL ID:
Free Research Context
This compound will appear in recent viewed items on the research home for this browser.
Research home
View demo workspace
C[C@]12Cn3cnc(-c4ccc(F)cc4)c3C=C1CCC[C@@H]2[C@H](O)c1ccc(F)cc1
Basic Information
| ChEMBL ID | CHEMBL583858 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | YXQPDNYJXVGIES-SDUSCBPUSA-N |
2
Targets
5
Activities
2
Assay Types
0
PK Parameters
2
Publications
0
Known Names
Molecular Properties
406.5
MW (Da)
5.77
ALogP
3
HBA
1
HBD
38.0
PSA (Ų)
0.60
QED
1
Ro5 Violations
3
Rot. Bonds
Drug Information
| Molecule Type | Small molecule |
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
Ki 3 meas. best 7.68
EC50 2 meas. best 6.61
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| Glucocorticoid receptor CHEMBL2034 | Ki | 7.68 | 7.64 | 21.0 | 2 |
| Glucocorticoid receptor CHEMBL2034 | EC50 | 6.61 | 6.59 | 243.0 | 2 |
| Progesterone receptor CHEMBL208 | Ki | 6.35 | 6.35 | 451.0 | 1 |
Activity Data Samples
Top measurements by pChEMBL value
| Target | Type | Rel. | Value | Units | pChEMBL | Assay | PubMed |
|---|---|---|---|---|---|---|---|
| Glucocorticoid receptor | Ki | = | 21.0 | nM | 7.68 | Displacement of GS-red from human glucocorticoid receptor by fluorescent polariz... | 20047280 |
| Glucocorticoid receptor | Ki | = | 25.0 | nM | 7.6 | Displacement of GS-red from human glucocorticoid receptor by fluorescent polariz... | 20047280 |
| Glucocorticoid receptor | EC50 | = | 243.0 | nM | 6.61 | Transrepression activity at glucocorticoid receptor expressed in human A549 cell... | 20047280 |
| Glucocorticoid receptor | EC50 | = | 272.0 | nM | 6.57 | Transrepression activity at glucocorticoid receptor expressed in human A549 cell... | 20047280 |
| Progesterone receptor | Ki | = | 451.0 | nM | 6.35 | Binding affinity to progesterone receptor | 20047280 |
Literature References
| PubMed | DOI | Target Context | # Activities |
|---|---|---|---|
| 20047280 | 10.1021/jm901551w | Glucocorticoid receptor | 8 |
| 20047280 | 10.1021/jm901551w | Progesterone receptor | 1 |
Data from ChEMBL 36 via Core Engine