Compound Detail
CHEMBL3120320
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Basic Information
| ChEMBL ID | CHEMBL3120320 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | WLMLZKXAEFRSCP-UHFFFAOYSA-N |
5
Targets
5
Activities
2
Assay Types
0
PK Parameters
5
Publications
0
Known Names
Molecular Properties
375.5
MW (Da)
4.75
ALogP
2
HBA
1
HBD
46.2
PSA (Ų)
0.72
QED
0
Ro5 Violations
3
Rot. Bonds
Drug Information
| Molecule Type | Small molecule |
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
Ki 4 meas. best 9.65
IC50 1 meas. best 7.12
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| Glucocorticoid receptor CHEMBL2034 | Ki | 9.65 | 9.65 | 0.2 | 1 |
| Mineralocorticoid receptor CHEMBL1994 | Ki | 8.61 | 8.61 | 2.5 | 1 |
| NON-PROTEIN TARGET CHEMBL3879801 | IC50 | 7.12 | 7.12 | 75.9 | 1 |
| Progesterone receptor CHEMBL208 | Ki | 7.0 | 7.0 | 99.0 | 1 |
| Androgen receptor CHEMBL1871 | Ki | 6.38 | 6.38 | 418.0 | 1 |
Activity Data Samples
Top measurements by pChEMBL value
| Target | Type | Rel. | Value | Units | pChEMBL | Assay | PubMed |
|---|---|---|---|---|---|---|---|
| Glucocorticoid receptor | Ki | = | 0.226 | nM | 9.65 | Displacement of [3H]-dexamethasone from human glucocorticoid receptor expressed ... | 24446728 |
| Mineralocorticoid receptor | Ki | = | 2.48 | nM | 8.61 | Displacement of [3H]-aldosterone from human mineralocorticoid receptor expressed... | 24446728 |
| NON-PROTEIN TARGET | IC50 | = | 75.9 | nM | 7.12 | Antiinflammatory activity in human CCD-39SK cells assessed as inhibition of IL-1... | 24446728 |
| Progesterone receptor | Ki | = | 99.0 | nM | 7.0 | Displacement of [3H]-methyltrienolone from human progesterone receptor expressed... | 24446728 |
| Androgen receptor | Ki | = | 418.0 | nM | 6.38 | Displacement of [3H]-methyltrienolone from human androgen receptor expressed in ... | 24446728 |
Literature References
| PubMed | DOI | Target Context | # Activities |
|---|---|---|---|
| 24446728 | 10.1021/jm401616g | NON-PROTEIN TARGET | 1 |
| 24446728 | 10.1021/jm401616g | Progesterone receptor | 1 |
| 24446728 | 10.1021/jm401616g | Mineralocorticoid receptor | 1 |
| 24446728 | 10.1021/jm401616g | Androgen receptor | 1 |
| 24446728 | 10.1021/jm401616g | Glucocorticoid receptor | 1 |
Data from ChEMBL 36 via Core Engine