Compound Detail
CHEMBL34589
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Basic Information
| ChEMBL ID | CHEMBL34589 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | BSNXEAPCSYQIRZ-UHFFFAOYSA-N |
1
Targets
2
Activities
2
Assay Types
0
PK Parameters
1
Publications
0
Known Names
Molecular Properties
417.9
MW (Da)
6.54
ALogP
3
HBA
1
HBD
38.3
PSA (Ų)
0.49
QED
1
Ro5 Violations
1
Rot. Bonds
Drug Information
| Molecule Type | Small molecule |
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
EC50 1 meas. best 8.01
Ki 1 meas. best 8.28
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| Progesterone receptor CHEMBL208 | Ki | 8.28 | 8.28 | 5.3 | 1 |
| Progesterone receptor CHEMBL208 | EC50 | 8.01 | 8.01 | 9.8 | 1 |
Activity Data Samples
Top measurements by pChEMBL value
| Target | Type | Rel. | Value | Units | pChEMBL | Assay | PubMed |
|---|---|---|---|---|---|---|---|
| Progesterone receptor | Ki | = | 5.3 | nM | 8.28 | Compound was evaluated for its binding affinity against baculovirus expressed Pr... | 10212133 |
| Progesterone receptor | EC50 | = | 9.8 | nM | 8.01 | Compound was tested for agonistic activity by cotransfection assay against human... | 10212133 |
Literature References
| PubMed | DOI | Target Context | # Activities |
|---|---|---|---|
| 10212133 | 10.1021/jm980723h | Progesterone receptor | 3 |
Data from ChEMBL 36 via Core Engine