Compound Detail
CHEMBL3261429
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COc1ncc(-n2ncc3c(NC[C@H](C)NS(=O)(=O)c4c(C)nn(C5CCCC5)c4C)cccc32)cn1
Basic Information
| ChEMBL ID | CHEMBL3261429 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | DUPKBDGJOZGDOR-INIZCTEOSA-N |
1
Targets
1
Activities
1
Assay Types
0
PK Parameters
1
Publications
0
Known Names
Molecular Properties
524.6
MW (Da)
3.53
ALogP
10
HBA
2
HBD
128.8
PSA (Ų)
0.34
QED
1
Ro5 Violations
9
Rot. Bonds
Drug Information
| Molecule Type | Small molecule |
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
IC50 1 meas. best 7.64
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| Glucocorticoid receptor CHEMBL2034 | IC50 | 7.64 | 7.64 | 23.0 | 1 |
Activity Data Samples
Top measurements by pChEMBL value
| Target | Type | Rel. | Value | Units | pChEMBL | Assay | PubMed |
|---|---|---|---|---|---|---|---|
| Glucocorticoid receptor | IC50 | = | 23.0 | nM | 7.64 | Binding affinity to human glucocorticoid receptor by fluorescence polarization a... | 24755427 |
Literature References
| PubMed | DOI | Target Context | # Activities |
|---|---|---|---|
| 24755427 | 10.1016/j.bmcl.2014.03.070 | Glucocorticoid receptor | 3 |
Data from ChEMBL 36 via Core Engine