Compound Detail
CHEMBL520169
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Basic Information
| ChEMBL ID | CHEMBL520169 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | LHEMFJILFRTVQP-UHFFFAOYSA-N |
3
Targets
4
Activities
1
Assay Types
0
PK Parameters
5
Publications
0
Known Names
Molecular Properties
431.5
MW (Da)
4.95
ALogP
6
HBA
1
HBD
67.0
PSA (Ų)
0.50
QED
0
Ro5 Violations
3
Rot. Bonds
Drug Information
| Molecule Type | Small molecule |
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
IC50 4 meas. best 7.95
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| Progesterone receptor CHEMBL208 | IC50 | 7.95 | 7.585 | 11.3 | 2 |
| Androgen receptor CHEMBL1871 | IC50 | 6.11 | 6.11 | 775.0 | 1 |
| Mineralocorticoid receptor CHEMBL1994 | IC50 | 5.64 | 5.64 | 2300.0 | 1 |
Activity Data Samples
Top measurements by pChEMBL value
| Target | Type | Rel. | Value | Units | pChEMBL | Assay | PubMed |
|---|---|---|---|---|---|---|---|
| Progesterone receptor | IC50 | = | 11.3 | nM | 7.95 | Antagonist activity at progesterone receptor assessed as progesterone-induced al... | 18722119 |
| Progesterone receptor | IC50 | = | 60.0 | nM | 7.22 | Displacement of [3H]progesterone from progesterone receptor in human T47D cells | 18722119 |
| Androgen receptor | IC50 | = | 775.0 | nM | 6.11 | Antagonist activity at androgen receptor by Gal4-DNA binding domain-hormone rece... | 18722119 |
| Mineralocorticoid receptor | IC50 | = | 2300.0 | nM | 5.64 | Antagonist activity at mineralocorticoid receptor by Gal4-DNA binding domain-hor... | 18722119 |
Literature References
| PubMed | DOI | Target Context | # Activities |
|---|---|---|---|
| 18722119 | 10.1016/j.bmcl.2008.08.015 | Progesterone receptor | 2 |
| 18722119 | 10.1016/j.bmcl.2008.08.015 | Estrogen receptor | 1 |
| 18722119 | 10.1016/j.bmcl.2008.08.015 | Androgen receptor | 1 |
| 18722119 | 10.1016/j.bmcl.2008.08.015 | Glucocorticoid receptor | 1 |
| 18722119 | 10.1016/j.bmcl.2008.08.015 | Mineralocorticoid receptor | 1 |
Data from ChEMBL 36 via Core Engine