Compound Detail
CHEMBL3666812
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CC[C@@H](O)CNC(=O)c1cccc(-n2ncc3cc(O[C@H](c4ccc5c(c4)OCOC5)[C@H](C)NC(=O)C(C)(F)F)ccc32)c1
Basic Information
| ChEMBL ID | CHEMBL3666812 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | DFLABOCFUUEYAR-CIKSPIGKSA-N |
1
Targets
2
Activities
1
Assay Types
0
PK Parameters
0
Publications
0
Known Names
Molecular Properties
608.6
MW (Da)
4.67
ALogP
8
HBA
3
HBD
123.9
PSA (Ų)
0.23
QED
1
Ro5 Violations
11
Rot. Bonds
Drug Information
| Molecule Type | Small molecule |
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
IC50 2 meas. best 8.67
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| Glucocorticoid receptor CHEMBL2034 | IC50 | 8.67 | 8.67 | 2.1 | 2 |
Activity Data Samples
Top measurements by pChEMBL value
| Target | Type | Rel. | Value | Units | pChEMBL | Assay | PubMed |
|---|---|---|---|---|---|---|---|
| Glucocorticoid receptor | IC50 | = | 2.15 | nM | 8.67 | Radioligand Binding Assay: In the GR radioligand binding assay, test compounds w... | - |
| Glucocorticoid receptor | IC50 | = | 2.15 | nM | 8.67 | Radioligand Binding Assay: In the GR radioligand binding assay, test compounds w... | - |
Data from ChEMBL 36 via Core Engine