Compound Detail
CHEMBL35431
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C[C@@H]1c2c(ccc3c2[C@H](c2ccc(Cl)cc2)Oc2ccccc2-3)NC(C)(C)[C@H]1O
Basic Information
| ChEMBL ID | CHEMBL35431 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | NTYFVXJANQIJET-HMCSHOMXSA-N |
1
Targets
1
Activities
1
Assay Types
0
PK Parameters
1
Publications
0
Known Names
Molecular Properties
405.9
MW (Da)
6.16
ALogP
3
HBA
2
HBD
41.5
PSA (Ų)
0.51
QED
1
Ro5 Violations
1
Rot. Bonds
Drug Information
| Molecule Type | Small molecule |
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
IC50 1 meas. best 5.5
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| Progesterone receptor CHEMBL208 | IC50 | 5.5 | 5.5 | 3200.0 | 1 |
Activity Data Samples
Top measurements by pChEMBL value
| Target | Type | Rel. | Value | Units | pChEMBL | Assay | PubMed |
|---|---|---|---|---|---|---|---|
| Progesterone receptor | IC50 | = | 3200.0 | nM | 5.5 | Antagonistic activity by cotransfection assay against human Progesterone recepto... | 10212133 |
Literature References
| PubMed | DOI | Target Context | # Activities |
|---|---|---|---|
| 10212133 | 10.1021/jm980723h | Progesterone receptor | 3 |
Data from ChEMBL 36 via Core Engine