Compound Detail
CHEMBL3647449
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Cc1ncccc1NC(=O)c1ccc2c(c1)CC[C@@H]1C[C@@](OC(=O)OCC(C)C)(C(F)(F)F)CC[C@@]21Cc1ccccc1
Basic Information
| ChEMBL ID | CHEMBL3647449 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | AGYBPLZBQKCDOK-UKOABYEESA-N |
1
Targets
1
Activities
1
Assay Types
0
PK Parameters
0
Publications
0
Known Names
Molecular Properties
594.7
MW (Da)
7.98
ALogP
5
HBA
1
HBD
77.5
PSA (Ų)
0.28
QED
2
Ro5 Violations
7
Rot. Bonds
Drug Information
| Molecule Type | Small molecule |
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
IC50 1 meas. best 6.05
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| Glucocorticoid receptor CHEMBL2034 | IC50 | 6.05 | 6.05 | 895.0 | 1 |
Activity Data Samples
Top measurements by pChEMBL value
| Target | Type | Rel. | Value | Units | pChEMBL | Assay | PubMed |
|---|---|---|---|---|---|---|---|
| Glucocorticoid receptor | IC50 | = | 895.0 | nM | 6.05 | Fluorescence Polarization Ligand Binding Assay: The glucocorticoid receptor fluo... | - |
Data from ChEMBL 36 via Core Engine