Compound Detail
CHEMBL560248
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 | CHEMBL560248 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | NRNKWZJLUHDQSO-SFHVURJKSA-N |
2
Targets
3
Activities
2
Assay Types
0
PK Parameters
2
Publications
0
Known Names
Molecular Properties
372.9
MW (Da)
4.13
ALogP
6
HBA
0
HBD
70.6
PSA (Ų)
0.73
QED
0
Ro5 Violations
7
Rot. Bonds
Drug Information
| Molecule Type | Small molecule |
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
IC50 2 meas. best 7.8
EC50 1 meas. best 8.17
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| Progesterone receptor CHEMBL208 | EC50 | 8.17 | 8.17 | 6.8 | 1 |
| Progesterone receptor CHEMBL208 | IC50 | 7.8 | 7.8 | 16.0 | 1 |
| Cytochrome P450 2C19 CHEMBL3622 | IC50 | 5.19 | 5.19 | 6400.0 | 1 |
Activity Data Samples
Top measurements by pChEMBL value
| Target | Type | Rel. | Value | Units | pChEMBL | Assay | PubMed |
|---|---|---|---|---|---|---|---|
| Progesterone receptor | EC50 | = | 6.8 | nM | 8.17 | Agonist activity at progesterone receptor in human T47D cells by alkaline phosph... | 19376703 |
| Progesterone receptor | IC50 | = | 16.0 | nM | 7.8 | Binding affinity to progesterone receptor ligand binding domain by fluorimetric ... | 19376703 |
| Cytochrome P450 2C19 | IC50 | = | 6400.0 | nM | 5.19 | Inhibition of CYP2C19 | 19376703 |
Literature References
| PubMed | DOI | Target Context | # Activities |
|---|---|---|---|
| 19376703 | 10.1016/j.bmcl.2009.03.146 | Progesterone receptor | 3 |
| 19376703 | 10.1016/j.bmcl.2009.03.146 | Cytochrome P450 2C19 | 1 |
Data from ChEMBL 36 via Core Engine