Compound Detail
CHEMBL138059
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Basic Information
| ChEMBL ID | CHEMBL138059 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | IJSGDARRCNDONL-UHFFFAOYSA-N |
2
Targets
5
Activities
1
Assay Types
0
PK Parameters
6
Publications
0
Known Names
Molecular Properties
268.3
MW (Da)
3.62
ALogP
4
HBA
1
HBD
75.3
PSA (Ų)
0.86
QED
0
Ro5 Violations
1
Rot. Bonds
Drug Information
| Molecule Type | Small molecule |
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
IC50 5 meas. best 8.1
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| Progesterone receptor CHEMBL208 | IC50 | 8.1 | 7.75 | 8.0 | 4 |
| Androgen receptor CHEMBL1871 | IC50 | 6.89 | 6.89 | 129.0 | 1 |
Activity Data Samples
Top measurements by pChEMBL value
| Target | Type | Rel. | Value | Units | pChEMBL | Assay | PubMed |
|---|---|---|---|---|---|---|---|
| Progesterone receptor | IC50 | = | 8.0 | nM | 8.1 | Antagonist activity against progesterone receptor (PR) in an alkaline phosphatas... | 12238914 |
| Progesterone receptor | IC50 | = | 8.0 | nM | 8.1 | Inhibition of human progesterone receptor | 16078826 |
| Progesterone receptor | IC50 | = | 40.2 | nM | 7.4 | Antagonist activity against progesterone receptor (PR) in an assay using PRE-luc... | 12238914 |
| Progesterone receptor | IC50 | = | 40.2 | nM | 7.4 | Antagonist activity against the Progesterone Receptor (PR) | 12238914 |
| Androgen receptor | IC50 | = | 129.0 | nM | 6.89 | Antagonist activity against the Androgen Receptor (AR) | 12238914 |
Literature References
| PubMed | DOI | Target Context | # Activities |
|---|---|---|---|
| 12238914 | 10.1021/jm025555e | Progesterone receptor | 5 |
| 16078826 | 10.1021/jm050358b | Progesterone receptor | 2 |
| 12238914 | 10.1021/jm025555e | Androgen receptor | 1 |
| 12238914 | 10.1021/jm025555e | Glucocorticoid receptor | 1 |
| 12238914 | 10.1021/jm025555e | Mineralocorticoid receptor | 1 |
| 12238914 | 10.1021/jm025555e | Estrogen receptor | 1 |
Data from ChEMBL 36 via Core Engine