Compound Detail
CHEMBL3981243
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CC#C[C@]1(O)CC[C@H]2[C@@H]3CCc4cc(C(=O)Nc5cccnc5C)ccc4[C@H]3[C@@H](OCC)C[C@@]21C
Basic Information
| ChEMBL ID | CHEMBL3981243 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | HGDZKRTZJOREBE-GYBXLDJFSA-N |
1
Targets
1
Activities
1
Assay Types
0
PK Parameters
1
Publications
0
Known Names
Molecular Properties
472.6
MW (Da)
5.27
ALogP
4
HBA
2
HBD
71.5
PSA (Ų)
0.60
QED
1
Ro5 Violations
4
Rot. Bonds
Drug Information
| Molecule Type | Small molecule |
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
EC50 1 meas. best 10.3
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| Glucocorticoid receptor CHEMBL2034 | EC50 | 10.3 | 10.3 | 0.1 | 1 |
Activity Data Samples
Top measurements by pChEMBL value
| Target | Type | Rel. | Value | Units | pChEMBL | Assay | PubMed |
|---|---|---|---|---|---|---|---|
| Glucocorticoid receptor | EC50 | = | 0.05 | nM | 10.3 | Agonist activity at GR in human HepG2 cells assessed as protein mediated-transcr... | 27919657 |
Literature References
| PubMed | DOI | Target Context | # Activities |
|---|---|---|---|
| 27919657 | 10.1016/j.bmcl.2016.11.007 | Glucocorticoid receptor | 6 |
Data from ChEMBL 36 via Core Engine