Compound Detail
CHEMBL139631
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Basic Information
| ChEMBL ID | CHEMBL139631 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | GWLDFNWDVYCDFE-IWIPYMOSSA-N |
2
Targets
2
Activities
2
Assay Types
0
PK Parameters
2
Publications
0
Known Names
Molecular Properties
395.5
MW (Da)
6.86
ALogP
3
HBA
1
HBD
30.5
PSA (Ų)
0.51
QED
1
Ro5 Violations
2
Rot. Bonds
Drug Information
| Molecule Type | Small molecule |
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
IC50 1 meas. best 6.37
Ki 1 meas. best 7.27
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| Progesterone receptor CHEMBL208 | Ki | 7.27 | 7.27 | 53.3 | 1 |
| CV-1 CHEMBL613507 | IC50 | 6.37 | 6.37 | 425.0 | 1 |
Activity Data Samples
Top measurements by pChEMBL value
| Target | Type | Rel. | Value | Units | pChEMBL | Assay | PubMed |
|---|---|---|---|---|---|---|---|
| Progesterone receptor | Ki | = | 53.3 | nM | 7.27 | Binding affinity against human progesterone receptor | 9784110 |
| CV-1 | IC50 | = | 425.0 | nM | 6.37 | Inhibitory concentration in CV-1 cell | 9784110 |
Literature References
| PubMed | DOI | Target Context | # Activities |
|---|---|---|---|
| 9784110 | 10.1021/jm980366a | Progesterone receptor | 4 |
| 9784110 | 10.1021/jm980366a | CV-1 | 1 |
Data from ChEMBL 36 via Core Engine