Compound Detail
CHEMBL491206
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Basic Information
| ChEMBL ID | CHEMBL491206 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | KERXRLFGJZSNBC-UHFFFAOYSA-N |
1
Targets
2
Activities
2
Assay Types
0
PK Parameters
1
Publications
0
Known Names
Molecular Properties
281.3
MW (Da)
2.76
ALogP
3
HBA
2
HBD
77.9
PSA (Ų)
0.84
QED
0
Ro5 Violations
1
Rot. Bonds
Drug Information
| Molecule Type | Small molecule |
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
EC50 1 meas. best 8.48
IC50 1 meas. best 7.97
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| Progesterone receptor CHEMBL208 | EC50 | 8.48 | 8.48 | 3.3 | 1 |
| Progesterone receptor CHEMBL208 | IC50 | 7.97 | 7.97 | 10.7 | 1 |
Activity Data Samples
Top measurements by pChEMBL value
| Target | Type | Rel. | Value | Units | pChEMBL | Assay | PubMed |
|---|---|---|---|---|---|---|---|
| Progesterone receptor | EC50 | = | 3.3 | nM | 8.48 | Activity at progesterone receptor assessed as alkaline phosphatase activity in h... | 18722119 |
| Progesterone receptor | IC50 | = | 10.7 | nM | 7.97 | Displacement of [3H]progesterone from progesterone receptor in human T47D cells | 18722119 |
Literature References
| PubMed | DOI | Target Context | # Activities |
|---|---|---|---|
| 18722119 | 10.1016/j.bmcl.2008.08.015 | Progesterone receptor | 2 |
Data from ChEMBL 36 via Core Engine