Compound Detail
CHEMBL136806
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Basic Information
| ChEMBL ID | CHEMBL136806 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | VMPIROWONHUKCP-UHFFFAOYSA-N |
1
Targets
3
Activities
1
Assay Types
0
PK Parameters
2
Publications
0
Known Names
Molecular Properties
287.8
MW (Da)
4.80
ALogP
2
HBA
1
HBD
38.3
PSA (Ų)
0.82
QED
0
Ro5 Violations
1
Rot. Bonds
Drug Information
| Molecule Type | Small molecule |
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
IC50 3 meas. best 8.03
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| Progesterone receptor CHEMBL208 | IC50 | 8.03 | 7.69 | 9.3 | 3 |
Activity Data Samples
Top measurements by pChEMBL value
| Target | Type | Rel. | Value | Units | pChEMBL | Assay | PubMed |
|---|---|---|---|---|---|---|---|
| Progesterone receptor | IC50 | = | 9.3 | nM | 8.03 | Antagonist activity against progesterone receptor (PR) in an assay using PRE-luc... | 12238914 |
| Progesterone receptor | IC50 | = | 30.0 | nM | 7.52 | Antagonist activity against progesterone receptor (PR) in an alkaline phosphatas... | 12238914 |
| Progesterone receptor | IC50 | = | 30.0 | nM | 7.52 | Inhibition of human progesterone receptor | 16078826 |
Literature References
| PubMed | DOI | Target Context | # Activities |
|---|---|---|---|
| 12238914 | 10.1021/jm025555e | Progesterone receptor | 4 |
| 16078826 | 10.1021/jm050358b | Progesterone receptor | 1 |
Data from ChEMBL 36 via Core Engine