Compound Detail
CHEMBL2440888
11BETA-HYDROXYPROGESTERONE Enter ChEMBL ID:
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CC(=O)[C@H]1CC[C@H]2[C@@H]3CCC4=CC(=O)CC[C@]4(C)[C@H]3[C@@H](O)C[C@]12C
Basic Information
| ChEMBL ID | CHEMBL2440888 |
| Name | 11BETA-HYDROXYPROGESTERONE |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | BFZHCUBIASXHPK-ATWVFEABSA-N |
3
Targets
4
Activities
2
Assay Types
0
PK Parameters
3
Publications
0
Known Names
Molecular Properties
330.5
MW (Da)
3.69
ALogP
3
HBA
1
HBD
54.4
PSA (Ų)
0.80
QED
0
Ro5 Violations
1
Rot. Bonds
Drug Information
| Molecule Type | Small molecule |
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
EC50 2 meas. best 7.3
IC50 2 meas. best 6.31
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| Mineralocorticoid receptor CHEMBL1994 | EC50 | 7.3 | 6.075 | 50.0 | 2 |
| 11-beta-hydroxysteroid dehydrogenase type 2 CHEMBL3746 | IC50 | 6.31 | 6.31 | 490.0 | 1 |
| 11-beta-hydroxysteroid dehydrogenase 1 CHEMBL4235 | IC50 | 5.94 | 5.94 | 1160.0 | 1 |
Activity Data Samples
Top measurements by pChEMBL value
| Target | Type | Rel. | Value | Units | pChEMBL | Assay | PubMed |
|---|---|---|---|---|---|---|---|
| Mineralocorticoid receptor | EC50 | = | 50.0 | nM | 7.3 | Transactivation of wild-type human recombinant mineralocorticoid receptor expres... | 24074876 |
| 11-beta-hydroxysteroid dehydrogenase type 2 | IC50 | = | 490.0 | nM | 6.31 | Inhibition of human recombinant 11beta-HSD2 expressed in HEK293 cells assessed a... | 24074876 |
| 11-beta-hydroxysteroid dehydrogenase 1 | IC50 | = | 1160.0 | nM | 5.94 | Inhibition of human recombinant 11beta-HSD1 expressed in HEK293 cells assessed a... | 24074876 |
| Mineralocorticoid receptor | EC50 | = | 14000.0 | nM | 4.85 | Transactivation of human recombinant mineralocorticoid receptor expressed in HEK... | 24074876 |
Literature References
| PubMed | DOI | Target Context | # Activities |
|---|---|---|---|
| 24074876 | 10.1016/j.bmc.2013.08.068 | Mineralocorticoid receptor | 3 |
| 24074876 | 10.1016/j.bmc.2013.08.068 | 11-beta-hydroxysteroid dehydrogenase 1 | 2 |
| 24074876 | 10.1016/j.bmc.2013.08.068 | 11-beta-hydroxysteroid dehydrogenase type 2 | 2 |
Data from ChEMBL 36 via Core Engine