Compound Detail
CHEMBL136721
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Basic Information
| ChEMBL ID | CHEMBL136721 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | QYXWQJJMCRIUKE-UHFFFAOYSA-N |
1
Targets
4
Activities
1
Assay Types
0
PK Parameters
3
Publications
0
Known Names
Molecular Properties
296.3
MW (Da)
4.16
ALogP
3
HBA
1
HBD
62.1
PSA (Ų)
0.86
QED
0
Ro5 Violations
1
Rot. Bonds
Drug Information
| Molecule Type | Small molecule |
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
IC50 4 meas. best 7.82
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| Progesterone receptor CHEMBL208 | IC50 | 7.82 | 7.68 | 15.0 | 4 |
Activity Data Samples
Top measurements by pChEMBL value
| Target | Type | Rel. | Value | Units | pChEMBL | Assay | PubMed |
|---|---|---|---|---|---|---|---|
| Progesterone receptor | IC50 | = | 15.1 | nM | 7.82 | Antagonist activity against progesterone receptor (PR) in an alkaline phosphatas... | 12238914 |
| Progesterone receptor | IC50 | = | 15.0 | nM | 7.82 | Inhibition of human progesterone receptor | 16078826 |
| Progesterone receptor | IC50 | = | 15.1 | nM | 7.82 | Antagonist activity at progesterone receptor expressed in T47D cells assessed as... | 17027272 |
| Progesterone receptor | IC50 | = | 55.0 | nM | 7.26 | Antagonist activity against progesterone receptor (PR) in an assay using PRE-luc... | 12238914 |
Literature References
| PubMed | DOI | Target Context | # Activities |
|---|---|---|---|
| 12238914 | 10.1021/jm025555e | Progesterone receptor | 4 |
| 16078826 | 10.1021/jm050358b | Progesterone receptor | 2 |
| 17027272 | 10.1016/j.bmcl.2006.09.060 | Progesterone receptor | 1 |
Data from ChEMBL 36 via Core Engine