Compound Detail
CHEMBL3647444
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Cc1ncccc1NC(=O)c1ccc2c(c1)[C@H](O)C[C@@H]1C[C@@](O)(C(F)(F)F)CC[C@@]21Cc1ccccc1
Basic Information
| ChEMBL ID | CHEMBL3647444 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | IBEIVQBULJKLFB-WPFDQAMCSA-N |
2
Targets
2
Activities
1
Assay Types
0
PK Parameters
0
Publications
0
Known Names
Molecular Properties
510.6
MW (Da)
5.65
ALogP
4
HBA
3
HBD
82.5
PSA (Ų)
0.42
QED
2
Ro5 Violations
4
Rot. Bonds
Drug Information
| Molecule Type | Small molecule |
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
IC50 2 meas. best 8.72
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| Glucocorticoid receptor CHEMBL2034 | IC50 | 8.72 | 8.72 | 1.9 | 1 |
| Interleukin-6 CHEMBL1795129 | IC50 | 8.15 | 8.15 | 7.0 | 1 |
Activity Data Samples
Top measurements by pChEMBL value
| Target | Type | Rel. | Value | Units | pChEMBL | Assay | PubMed |
|---|---|---|---|---|---|---|---|
| Glucocorticoid receptor | IC50 | = | 1.9 | nM | 8.72 | Fluorescence Polarization Ligand Binding Assay: The glucocorticoid receptor fluo... | - |
| Interleukin-6 | IC50 | = | 7.0 | nM | 8.15 | Fluorescence Polarization Ligand Binding Assay: The glucocorticoid receptor fluo... | - |
Data from ChEMBL 36 via Core Engine