Compound Detail
CHEMBL401267
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C=C1OC(C)=N[C@]12CC[C@H]1[C@@H]3CCC4=CC(=O)CCC4=C3[C@@H](c3ccc(OC)c(F)c3)C[C@@]12C
Basic Information
| ChEMBL ID | CHEMBL401267 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | DVIBYGTZNAJRGB-IOQHNNRJSA-N |
2
Targets
2
Activities
1
Assay Types
0
PK Parameters
3
Publications
0
Known Names
Molecular Properties
461.6
MW (Da)
6.43
ALogP
4
HBA
0
HBD
47.9
PSA (Ų)
0.51
QED
1
Ro5 Violations
2
Rot. Bonds
Drug Information
| Molecule Type | Small molecule |
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
IC50 2 meas. best 8.34
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| Progesterone receptor CHEMBL208 | IC50 | 8.34 | 8.34 | 4.6 | 1 |
| Glucocorticoid receptor CHEMBL2034 | IC50 | 6.18 | 6.18 | 660.0 | 1 |
Activity Data Samples
Top measurements by pChEMBL value
| Target | Type | Rel. | Value | Units | pChEMBL | Assay | PubMed |
|---|---|---|---|---|---|---|---|
| Progesterone receptor | IC50 | = | 4.6 | nM | 8.34 | Antagonist activity at progesterone receptor expressed in human T47D cells asses... | 17855092 |
| Glucocorticoid receptor | IC50 | = | 660.0 | nM | 6.18 | Antagonist activity at glucocorticoid receptor expressed in A549 cells assessed ... | 17855092 |
Literature References
| PubMed | DOI | Target Context | # Activities |
|---|---|---|---|
| 17855092 | 10.1016/j.bmcl.2007.08.064 | Progesterone receptor | 1 |
| 17855092 | 10.1016/j.bmcl.2007.08.064 | Glucocorticoid receptor | 1 |
| 17855092 | 10.1016/j.bmcl.2007.08.064 | Unchecked | 1 |
Data from ChEMBL 36 via Core Engine