Compound Detail
CHEMBL3137304
DAGROCORAT 🧪 Phase II
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🧪 Phase II
Cc1ncccc1NC(=O)c1ccc2c(c1)CC[C@@H]1C[C@@](O)(C(F)(F)F)CC[C@@]21Cc1ccccc1
Basic Information
| ChEMBL ID | CHEMBL3137304 |
| Name | DAGROCORAT |
| Phase | Phase II |
| Structure Type | MOL |
| InChI Key | QJJBNCHSWFGXML-KEKPKEOLSA-N |
1
Targets
5
Activities
2
Assay Types
0
PK Parameters
3
Publications
4
Known Names
1
Mechanisms
Molecular Properties
494.6
MW (Da)
6.16
ALogP
3
HBA
2
HBD
62.2
PSA (Ų)
0.46
QED
1
Ro5 Violations
4
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 | ✓ | ✓ |
Activity Summary
IC50 4 meas. best 9.16
EC50 1 meas. best 8.32
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| Glucocorticoid receptor CHEMBL2034 | IC50 | 9.16 | 8.3875 | 0.7 | 4 |
| Glucocorticoid receptor CHEMBL2034 | EC50 | 8.32 | 8.32 | 4.8 | 1 |
Activity Data Samples
Top measurements by pChEMBL value
| Target | Type | Rel. | Value | Units | pChEMBL | Assay | PubMed |
|---|---|---|---|---|---|---|---|
| Glucocorticoid receptor | IC50 | = | 0.69 | nM | 9.16 | Transrepression activity at glucocorticoid receptor (unknown origin) expressed i... | 29424542 |
| Glucocorticoid receptor | IC50 | = | 1.31 | nM | 8.88 | Fluorescence Polarization Ligand Binding Assay: The glucocorticoid receptor fluo... | - |
| Glucocorticoid receptor | EC50 | = | 4.8 | nM | 8.32 | Transactivation activity at glucocorticoid receptor (unknown origin) expressed i... | 29424542 |
| Glucocorticoid receptor | IC50 | = | 8.9 | nM | 8.05 | Antagonist activity at glucocorticoid receptor (unknown origin) expressed in hum... | 29424542 |
| Glucocorticoid receptor | IC50 | = | 35.0 | nM | 7.46 | Transrepression of GR in human whole blood assessed as inhibition of LPS-induced... | 29424542 |
Literature References
| PubMed | DOI | Target Context | # Activities |
|---|---|---|---|
| 29424542 | 10.1021/acs.jmedchem.7b01690 | Glucocorticoid receptor | 14 |
| 39240657 | 10.1021/acs.jmedchem.4c01007 | Unchecked | 2 |
| 29424542 | 10.1021/acs.jmedchem.7b01690 | No relevant target | 1 |
Data from ChEMBL 36 via Core Engine