Compound Detail
CHEMBL3137316
FOSDAGROCORAT 🧪 Phase II
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🧪 Phase II
Cc1ncccc1NC(=O)c1ccc2c(c1)CC[C@@H]1C[C@@](OP(=O)(O)O)(C(F)(F)F)CC[C@@]21Cc1ccccc1
Basic Information
| ChEMBL ID | CHEMBL3137316 |
| Name | FOSDAGROCORAT |
| Phase | Phase II |
| Structure Type | MOL |
| InChI Key | BVXLAHSJXXSWFF-KEKPKEOLSA-N |
| Active Moiety | CHEMBL3137304 |
2
Targets
3
Activities
1
Assay Types
0
PK Parameters
1
Publications
2
Known Names
1
Indications
1
Mechanisms
Molecular Properties
574.5
MW (Da)
6.28
ALogP
4
HBA
3
HBD
108.8
PSA (Ų)
0.30
QED
2
Ro5 Violations
6
Rot. Bonds
Drug Information
| Molecule Type | Small molecule |
| Chirality | Single Enantiomer |
Mechanism of Action
| Mechanism | Action Type | Target | Direct | Efficacy |
|---|---|---|---|---|
| Glucocorticoid receptor modulator | MODULATOR | Glucocorticoid receptor | ✓ | ✓ |
Indications
Arthritis, Rheumatoid
Activity Summary
IC50 3 meas. best 7.38
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| Glucocorticoid receptor CHEMBL2034 | IC50 | 7.38 | 7.24 | 42.0 | 2 |
| Interleukin-6 CHEMBL1795129 | IC50 | 7.22 | 7.22 | 60.0 | 1 |
Activity Data Samples
Top measurements by pChEMBL value
| Target | Type | Rel. | Value | Units | pChEMBL | Assay | PubMed |
|---|---|---|---|---|---|---|---|
| Glucocorticoid receptor | IC50 | = | 42.0 | nM | 7.38 | Fluorescence Polarization Ligand Binding Assay: The glucocorticoid receptor fluo... | - |
| Interleukin-6 | IC50 | = | 60.0 | nM | 7.22 | Fluorescence Polarization Ligand Binding Assay: The glucocorticoid receptor fluo... | - |
| Glucocorticoid receptor | IC50 | = | 79.0 | nM | 7.1 | Fluorescence Polarization Ligand Binding Assay: The glucocorticoid receptor fluo... | - |
Literature References
| PubMed | DOI | Target Context | # Activities |
|---|---|---|---|
| - | 10.6019/CHEMBL4651402 | SARS-CoV-2 | 2 |
Data from ChEMBL 36 via Core Engine