Compound Detail
CHEMBL431380
Enter ChEMBL ID:
Free Research Context
This compound will appear in recent viewed items on the research home for this browser.
Research home
View demo workspace
Basic Information
| ChEMBL ID | CHEMBL431380 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | YIRFZHWBRXPHQF-UHFFFAOYSA-N |
2
Targets
2
Activities
2
Assay Types
0
PK Parameters
2
Publications
0
Known Names
Molecular Properties
295.3
MW (Da)
3.84
ALogP
4
HBA
1
HBD
67.0
PSA (Ų)
0.91
QED
0
Ro5 Violations
2
Rot. Bonds
Drug Information
| Molecule Type | Small molecule |
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
EC50 1 meas. best 8.74
IC50 1 meas. best 8.03
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| Progesterone receptor CHEMBL208 | EC50 | 8.74 | 8.74 | 1.8 | 1 |
| Unchecked CHEMBL612545 | IC50 | 8.03 | 8.03 | 9.4 | 1 |
Activity Data Samples
Top measurements by pChEMBL value
| Target | Type | Rel. | Value | Units | pChEMBL | Assay | PubMed |
|---|---|---|---|---|---|---|---|
| Progesterone receptor | EC50 | = | 1.8 | nM | 8.74 | Agonistic activity as progesterone receptor induced alkaline phosphatase activit... | 15081005 |
| Unchecked | IC50 | = | 9.4 | nM | 8.03 | Displacement of [3H]progesterone at progesterone receptor of T47D cells | 15081005 |
Literature References
| PubMed | DOI | Target Context | # Activities |
|---|---|---|---|
| 15081005 | 10.1016/j.bmcl.2004.02.054 | Progesterone receptor | 4 |
| 15081005 | 10.1016/j.bmcl.2004.02.054 | Unchecked | 1 |
Data from ChEMBL 36 via Core Engine