Compound Detail
CHEMBL137902
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Basic Information
| ChEMBL ID | CHEMBL137902 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | VDIVRRZLTFUVFZ-UCQKPKSFSA-N |
1
Targets
2
Activities
2
Assay Types
0
PK Parameters
2
Publications
0
Known Names
Molecular Properties
444.4
MW (Da)
7.61
ALogP
2
HBA
1
HBD
21.3
PSA (Ų)
0.42
QED
1
Ro5 Violations
1
Rot. Bonds
Drug Information
| Molecule Type | Small molecule |
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
EC50 1 meas. best 7.5
Ki 1 meas. best 8.06
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| Progesterone receptor CHEMBL208 | Ki | 8.06 | 8.06 | 8.7 | 1 |
| Progesterone receptor CHEMBL208 | EC50 | 7.5 | 7.5 | 31.5 | 1 |
Activity Data Samples
Top measurements by pChEMBL value
| Target | Type | Rel. | Value | Units | pChEMBL | Assay | PubMed |
|---|---|---|---|---|---|---|---|
| Progesterone receptor | Ki | = | 8.7 | nM | 8.06 | Binding affinity against human progesterone receptor | 9784110 |
| Progesterone receptor | EC50 | = | 31.5 | nM | 7.5 | Effective concentration (EC50) against human progesterone receptor expressed in ... | 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