Compound Detail
CHEMBL398801
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Basic Information
| ChEMBL ID | CHEMBL398801 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | MXOQZKMGLKSADK-UHFFFAOYSA-N |
1
Targets
1
Activities
1
Assay Types
0
PK Parameters
1
Publications
0
Known Names
Molecular Properties
398.9
MW (Da)
6.39
ALogP
4
HBA
1
HBD
41.6
PSA (Ų)
0.55
QED
1
Ro5 Violations
4
Rot. Bonds
Drug Information
| Molecule Type | Small molecule |
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
IC50 1 meas. best 7.49
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| Progesterone receptor CHEMBL208 | IC50 | 7.49 | 7.49 | 32.2 | 1 |
Activity Data Samples
Top measurements by pChEMBL value
| Target | Type | Rel. | Value | Units | pChEMBL | Assay | PubMed |
|---|---|---|---|---|---|---|---|
| Progesterone receptor | IC50 | = | 32.2 | nM | 7.49 | Antagonist activity at progesterone receptor expressed in T47D cells assessed as... | 17027272 |
Literature References
| PubMed | DOI | Target Context | # Activities |
|---|---|---|---|
| 17027272 | 10.1016/j.bmcl.2006.09.060 | Progesterone receptor | 1 |
Data from ChEMBL 36 via Core Engine