Compound Detail
CHEMBL522432
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Basic Information
| ChEMBL ID | CHEMBL522432 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | OPPYDCXBDREGJT-UHFFFAOYSA-N |
4
Targets
5
Activities
2
Assay Types
0
PK Parameters
6
Publications
0
Known Names
Molecular Properties
363.4
MW (Da)
3.86
ALogP
5
HBA
1
HBD
67.0
PSA (Ų)
0.75
QED
0
Ro5 Violations
2
Rot. Bonds
Drug Information
| Molecule Type | Small molecule |
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
IC50 4 meas. best 8.47
EC50 1 meas. best 9.1
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| Progesterone receptor CHEMBL208 | EC50 | 9.1 | 9.1 | 0.8 | 1 |
| Progesterone receptor CHEMBL208 | IC50 | 8.47 | 8.47 | 3.4 | 1 |
| Glucocorticoid receptor CHEMBL2034 | IC50 | 6.9 | 6.9 | 127.0 | 1 |
| Androgen receptor CHEMBL1871 | IC50 | 6.49 | 6.49 | 325.0 | 1 |
| Mineralocorticoid receptor CHEMBL1994 | IC50 | 6.36 | 6.36 | 440.0 | 1 |
Activity Data Samples
Top measurements by pChEMBL value
| Target | Type | Rel. | Value | Units | pChEMBL | Assay | PubMed |
|---|---|---|---|---|---|---|---|
| Progesterone receptor | EC50 | = | 0.8 | nM | 9.1 | Activity at progesterone receptor assessed as alkaline phosphatase activity in h... | 18722119 |
| Progesterone receptor | IC50 | = | 3.4 | nM | 8.47 | Displacement of [3H]progesterone from progesterone receptor in human T47D cells | 18722119 |
| Glucocorticoid receptor | IC50 | = | 127.0 | nM | 6.9 | Antagonist activity at glucocorticoid receptor by Gal4-DNA binding domain-hormon... | 18722119 |
| Androgen receptor | IC50 | = | 325.0 | nM | 6.49 | Antagonist activity at androgen receptor by Gal4-DNA binding domain-hormone rece... | 18722119 |
| Mineralocorticoid receptor | IC50 | = | 440.0 | nM | 6.36 | 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 | Unchecked | 3 |
| 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