Compound Detail
CHEMBL343306
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Basic Information
| ChEMBL ID | CHEMBL343306 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | PRCXSDHAGJJCKC-UHFFFAOYSA-N |
4
Targets
7
Activities
1
Assay Types
0
PK Parameters
6
Publications
0
Known Names
Molecular Properties
305.7
MW (Da)
4.94
ALogP
2
HBA
1
HBD
38.3
PSA (Ų)
0.81
QED
0
Ro5 Violations
1
Rot. Bonds
Drug Information
| Molecule Type | Small molecule |
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
IC50 7 meas. best 7.64
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| Progesterone receptor CHEMBL208 | IC50 | 7.64 | 7.535 | 23.0 | 4 |
| Androgen receptor CHEMBL1871 | IC50 | 6.68 | 6.68 | 207.0 | 1 |
| Mineralocorticoid receptor CHEMBL1994 | IC50 | 5.6 | 5.6 | 2492.0 | 1 |
| Glucocorticoid receptor CHEMBL2034 | IC50 | 5.59 | 5.59 | 2581.0 | 1 |
Activity Data Samples
Top measurements by pChEMBL value
| Target | Type | Rel. | Value | Units | pChEMBL | Assay | PubMed |
|---|---|---|---|---|---|---|---|
| Progesterone receptor | IC50 | = | 23.0 | nM | 7.64 | Antagonist activity against progesterone receptor (PR) in an alkaline phosphatas... | 12238914 |
| Progesterone receptor | IC50 | = | 23.0 | nM | 7.64 | Antagonist activity at progesterone receptor expressed in T47D cells assessed as... | 17027272 |
| Progesterone receptor | IC50 | = | 37.0 | nM | 7.43 | Antagonist activity against progesterone receptor (PR) in an assay using PRE-luc... | 12238914 |
| Progesterone receptor | IC50 | = | 37.0 | nM | 7.43 | Antagonist activity against the Progesterone Receptor (PR) | 12238914 |
| Androgen receptor | IC50 | = | 207.0 | nM | 6.68 | Antagonist activity against the Androgen Receptor (AR) | 12238914 |
| Mineralocorticoid receptor | IC50 | = | 2492.0 | nM | 5.6 | Antagonist activity against the Mineralocorticoid Receptor (MR) | 12238914 |
| Glucocorticoid receptor | IC50 | = | 2581.0 | nM | 5.59 | Antagonist activity against the Glucocorticoid Receptor (GR) | 12238914 |
Literature References
| PubMed | DOI | Target Context | # Activities |
|---|---|---|---|
| 12238914 | 10.1021/jm025555e | Progesterone receptor | 5 |
| 12238914 | 10.1021/jm025555e | Estrogen receptor | 1 |
| 12238914 | 10.1021/jm025555e | Androgen receptor | 1 |
| 12238914 | 10.1021/jm025555e | Glucocorticoid receptor | 1 |
| 12238914 | 10.1021/jm025555e | Mineralocorticoid receptor | 1 |
| 17027272 | 10.1016/j.bmcl.2006.09.060 | Progesterone receptor | 1 |
Data from ChEMBL 36 via Core Engine