Compound Detail
CHEMBL4747722
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Basic Information
| ChEMBL ID | CHEMBL4747722 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | FSCCKWITGQQVRH-UHFFFAOYSA-N |
2
Targets
2
Activities
1
Assay Types
0
PK Parameters
2
Publications
0
Known Names
Molecular Properties
469.0
MW (Da)
5.10
ALogP
5
HBA
1
HBD
77.4
PSA (Ų)
0.40
QED
1
Ro5 Violations
6
Rot. Bonds
Drug Information
| Molecule Type | Unknown |
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
IC50 2 meas. best 5.82
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| Progesterone receptor CHEMBL208 | IC50 | 5.82 | 5.82 | 1500.0 | 1 |
| Mineralocorticoid receptor CHEMBL1994 | IC50 | 5.72 | 5.72 | 1900.0 | 1 |
Activity Data Samples
Top measurements by pChEMBL value
| Target | Type | Rel. | Value | Units | pChEMBL | Assay | PubMed |
|---|---|---|---|---|---|---|---|
| Progesterone receptor | IC50 | = | 1500.0 | nM | 5.82 | Antagonist activity at progesterone receptor (unknown origin) by PathHunter assa... | 27161805 |
| Mineralocorticoid receptor | IC50 | = | 1900.0 | nM | 5.72 | Antagonist activity at human full-length MCR assessed as inhibition of receptor ... | 27161805 |
Literature References
| PubMed | DOI | Target Context | # Activities |
|---|---|---|---|
| 27161805 | 10.1016/j.bmcl.2016.04.052 | Mineralocorticoid receptor | 1 |
| 27161805 | 10.1016/j.bmcl.2016.04.052 | Progesterone receptor | 1 |
Data from ChEMBL 36 via Core Engine