Compound Detail
CHEMBL1215627
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Basic Information
| ChEMBL ID | CHEMBL1215627 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | SSZMAARPGXYFMA-GOTSBHOMSA-N |
2
Targets
2
Activities
1
Assay Types
3
PK Parameters
7
Publications
0
Known Names
Molecular Properties
401.5
MW (Da)
4.25
ALogP
5
HBA
1
HBD
85.9
PSA (Ų)
0.83
QED
0
Ro5 Violations
3
Rot. Bonds
Drug Information
| Molecule Type | Small molecule |
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
IC50 2 meas. best 7.58
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| Mineralocorticoid receptor CHEMBL1994 | IC50 | 7.58 | 7.58 | 26.0 | 1 |
| Progesterone receptor CHEMBL208 | IC50 | 5.73 | 5.73 | 1880.0 | 1 |
Pharmacokinetic Data
| Parameter | Value | Units | Species |
|---|---|---|---|
| CL | 4.6 | mL.min-1.kg-1 | Rattus norvegicus |
| F | 57.0 | % | Rattus norvegicus |
| T1/2 | 1.6 | hr | Rattus norvegicus |
Activity Data Samples
Top measurements by pChEMBL value
| Target | Type | Rel. | Value | Units | pChEMBL | Assay | PubMed |
|---|---|---|---|---|---|---|---|
| Mineralocorticoid receptor | IC50 | = | 26.0 | nM | 7.58 | Antagonist activity at Gal4-tagged mineralocorticoid receptor expressed in human... | 20672822 |
| Progesterone receptor | IC50 | = | 1880.0 | nM | 5.73 | Antagonist activity at progesterone receptor | 20672822 |
Literature References
| PubMed | DOI | Target Context | # Activities |
|---|---|---|---|
| 20672822 | 10.1021/jm100505n | Rattus norvegicus | 4 |
| 20672822 | 10.1021/jm100505n | Unchecked | 3 |
| 20672822 | 10.1021/jm100505n | Mineralocorticoid receptor | 1 |
| 20672822 | 10.1021/jm100505n | Androgen receptor | 1 |
| 20672822 | 10.1021/jm100505n | Glucocorticoid receptor | 1 |
| 20672822 | 10.1021/jm100505n | Progesterone receptor | 1 |
| 20672822 | 10.1021/jm100505n | Estrogen receptor | 1 |
Data from ChEMBL 36 via Core Engine