Compound Detail
CHEMBL488559
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O=C1COC(c2ccco2)(C(F)(F)C(F)(F)F)c2cc(-c3ccc(F)c(Cl)c3)ccc2N1
Basic Information
| ChEMBL ID | CHEMBL488559 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | HVQVUCLPZYCYGH-UHFFFAOYSA-N |
1
Targets
1
Activities
1
Assay Types
0
PK Parameters
1
Publications
0
Known Names
Molecular Properties
475.8
MW (Da)
6.15
ALogP
3
HBA
1
HBD
51.5
PSA (Ų)
0.46
QED
1
Ro5 Violations
3
Rot. Bonds
Drug Information
| Molecule Type | Small molecule |
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
IC50 1 meas. best 7.08
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| Progesterone receptor CHEMBL208 | IC50 | 7.08 | 7.08 | 82.4 | 1 |
Activity Data Samples
Top measurements by pChEMBL value
| Target | Type | Rel. | Value | Units | pChEMBL | Assay | PubMed |
|---|---|---|---|---|---|---|---|
| Progesterone receptor | IC50 | = | 82.4 | nM | 7.08 | Inhibition of progesterone receptor mediated progesterone-induced alkaline phosp... | 18504132 |
Literature References
| PubMed | DOI | Target Context | # Activities |
|---|---|---|---|
| 18504132 | 10.1016/j.bmc.2008.05.018 | Progesterone receptor | 1 |
Data from ChEMBL 36 via Core Engine