Compound Detail
CHEMBL139749
Enter ChEMBL ID:
Free Research Context
This compound will appear in recent viewed items on the research home for this browser.
Research home
View demo workspace
Basic Information
| ChEMBL ID | CHEMBL139749 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | OTDVEVBRJYVJHY-UHFFFAOYSA-N |
4
Targets
6
Activities
2
Assay Types
0
PK Parameters
5
Publications
0
Known Names
Molecular Properties
284.3
MW (Da)
4.08
ALogP
4
HBA
1
HBD
62.1
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 8.17
EC50 1 meas. best 7.21
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| Progesterone receptor CHEMBL208 | IC50 | 8.17 | 8.17 | 6.7 | 2 |
| Progesterone receptor CHEMBL208 | EC50 | 7.21 | 7.21 | 61.1 | 1 |
| Androgen receptor CHEMBL1871 | IC50 | 6.55 | 6.55 | 280.0 | 1 |
| Mineralocorticoid receptor CHEMBL1994 | IC50 | 5.86 | 5.86 | 1386.0 | 1 |
| Glucocorticoid receptor CHEMBL2034 | IC50 | 5.73 | 5.73 | 1856.0 | 1 |
Activity Data Samples
Top measurements by pChEMBL value
| Target | Type | Rel. | Value | Units | pChEMBL | Assay | PubMed |
|---|---|---|---|---|---|---|---|
| Progesterone receptor | IC50 | = | 6.7 | nM | 8.17 | Antagonist activity against progesterone receptor (PR) in an assay using PRE-luc... | 12238914 |
| Progesterone receptor | IC50 | = | 6.7 | nM | 8.17 | Antagonist activity against the Progesterone Receptor (PR) | 12238914 |
| Progesterone receptor | EC50 | = | 61.1 | nM | 7.21 | Agonist activity against progesterone receptor (PR) in an alkaline phosphatase a... | 12238914 |
| Androgen receptor | IC50 | = | 280.0 | nM | 6.55 | Antagonist activity against the Androgen Receptor (AR) | 12238914 |
| Mineralocorticoid receptor | IC50 | = | 1386.0 | nM | 5.86 | Antagonist activity against the Mineralocorticoid Receptor (MR) | 12238914 |
| Glucocorticoid receptor | IC50 | = | 1856.0 | nM | 5.73 | 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 | 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