Compound Detail
CHEMBL4532570
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C[C@@H](C[C@@H](O)[C@@H]1OC1(C)C)[C@H]1CC[C@@]2(C)C3=CC[C@H]4C(C)(C)C(=O)CC[C@]4(C)[C@H]3CC[C@]12C
Basic Information
| ChEMBL ID | CHEMBL4532570 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | GKQMMZUXYRXFOH-WPDXTOJRSA-N |
1
Targets
1
Activities
1
Assay Types
0
PK Parameters
1
Publications
0
Known Names
Molecular Properties
456.7
MW (Da)
6.73
ALogP
3
HBA
1
HBD
49.8
PSA (Ų)
0.38
QED
1
Ro5 Violations
4
Rot. Bonds
Drug Information
| Molecule Type | Unknown |
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
IC50 1 meas. best 6.16
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| 11-beta-hydroxysteroid dehydrogenase 1 CHEMBL3910 | IC50 | 6.16 | 6.16 | 690.0 | 1 |
Activity Data Samples
Top measurements by pChEMBL value
| Target | Type | Rel. | Value | Units | pChEMBL | Assay | PubMed |
|---|---|---|---|---|---|---|---|
| 11-beta-hydroxysteroid dehydrogenase 1 | IC50 | = | 690.0 | nM | 6.16 | Inhibition of mouse microsomal 11beta-HSD1 overexpressed in HEK293 cells using [... | 26936592 |
Literature References
| PubMed | DOI | Target Context | # Activities |
|---|---|---|---|
| 26936592 | 10.1021/acs.jnatprod.5b00952 | 11-beta-hydroxysteroid dehydrogenase 1 | 4 |
Data from ChEMBL 36 via Core Engine