Compound Detail
CHEMBL471720
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Cc1ccc(CSc2nnc(N3C(=O)C(O)=C(C(=O)c4cc5ccccc5o4)C3c3ccccc3F)s2)cc1
Basic Information
| ChEMBL ID | CHEMBL471720 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | YYJHFDVMNJONQW-UHFFFAOYSA-N |
1
Targets
1
Activities
1
Assay Types
0
PK Parameters
2
Publications
0
Known Names
Molecular Properties
557.6
MW (Da)
6.81
ALogP
8
HBA
1
HBD
96.5
PSA (Ų)
0.13
QED
2
Ro5 Violations
7
Rot. Bonds
Drug Information
| Molecule Type | Small molecule |
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
IC50 1 meas. best 5.76
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| 11-beta-hydroxysteroid dehydrogenase 1 CHEMBL4235 | IC50 | 5.76 | 5.76 | 1730.0 | 1 |
Activity Data Samples
Top measurements by pChEMBL value
| Target | Type | Rel. | Value | Units | pChEMBL | Assay | PubMed |
|---|---|---|---|---|---|---|---|
| 11-beta-hydroxysteroid dehydrogenase 1 | IC50 | = | 1730.0 | nM | 5.76 | Inhibition of human 11beta-HSD1 expressed in HEK293 cells assessed as conversion... | 18653260 |
Literature References
| PubMed | DOI | Target Context | # Activities |
|---|---|---|---|
| 18653260 | 10.1016/j.ejmech.2008.06.005 | 11-beta-hydroxysteroid dehydrogenase 1 | 3 |
| 18653260 | 10.1016/j.ejmech.2008.06.005 | 11-beta-hydroxysteroid dehydrogenase type 2 | 2 |
Data from ChEMBL 36 via Core Engine