Compound Detail
CHEMBL329631
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Basic Information
| ChEMBL ID | CHEMBL329631 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | YGGFNZNCDVBJQV-UHFFFAOYSA-N |
1
Targets
4
Activities
2
Assay Types
0
PK Parameters
2
Publications
0
Known Names
Molecular Properties
286.8
MW (Da)
4.64
ALogP
3
HBA
1
HBD
38.0
PSA (Ų)
0.74
QED
0
Ro5 Violations
2
Rot. Bonds
Drug Information
| Molecule Type | Small molecule |
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
IC50 3 meas. best 7.14
Ki 1 meas. best 6.28
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| Progesterone receptor CHEMBL208 | IC50 | 7.14 | 6.8233 | 73.0 | 3 |
| Progesterone receptor CHEMBL208 | Ki | 6.28 | 6.28 | 525.0 | 1 |
Activity Data Samples
Top measurements by pChEMBL value
| Target | Type | Rel. | Value | Units | pChEMBL | Assay | PubMed |
|---|---|---|---|---|---|---|---|
| Progesterone receptor | IC50 | = | 73.0 | nM | 7.14 | Inhibition of human progesterone receptor | 16078826 |
| Progesterone receptor | IC50 | = | 112.8 | nM | 6.95 | Inhibitory concentration against progesterone stimulated alkaline phosphatase ac... | 11591515 |
| Progesterone receptor | IC50 | = | 412.0 | nM | 6.38 | Inhibitory concentration against progesterone induced PRE-luciferase activity in... | 11591515 |
| Progesterone receptor | Ki | = | 525.0 | nM | 6.28 | Binding affinity towards progesterone receptor was measured | 11591515 |
Literature References
| PubMed | DOI | Target Context | # Activities |
|---|---|---|---|
| 11591515 | 10.1016/s0960-894x(01)00554-6 | Progesterone receptor | 3 |
| 16078826 | 10.1021/jm050358b | Progesterone receptor | 1 |
Data from ChEMBL 36 via Core Engine