Compound Detail
CHEMBL104451
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Basic Information
| ChEMBL ID | CHEMBL104451 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | KVTIALKVENTGTL-UHFFFAOYSA-N |
1
Targets
2
Activities
2
Assay Types
0
PK Parameters
1
Publications
0
Known Names
Molecular Properties
401.5
MW (Da)
6.59
ALogP
3
HBA
1
HBD
30.5
PSA (Ų)
0.53
QED
1
Ro5 Violations
2
Rot. Bonds
Drug Information
| Molecule Type | Small molecule |
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
EC50 1 meas. best 6.57
Ki 1 meas. best 8.57
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| Progesterone receptor CHEMBL208 | Ki | 8.57 | 8.57 | 2.7 | 1 |
| Progesterone receptor CHEMBL208 | EC50 | 6.57 | 6.57 | 270.0 | 1 |
Activity Data Samples
Top measurements by pChEMBL value
| Target | Type | Rel. | Value | Units | pChEMBL | Assay | PubMed |
|---|---|---|---|---|---|---|---|
| Progesterone receptor | Ki | = | 2.7 | nM | 8.57 | The binding affinity measured using baculovirus-expressed hPR-A in sf21 cells. | 9464361 |
| Progesterone receptor | EC50 | = | 270.0 | nM | 6.57 | Agonistic activity was measured for modulation of hPR-B (human progesterone rece... | 9464361 |
Literature References
| PubMed | DOI | Target Context | # Activities |
|---|---|---|---|
| 9464361 | 10.1021/jm9705770 | Progesterone receptor | 3 |
Data from ChEMBL 36 via Core Engine