Compound Detail
CHEMBL1642617
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COC(=O)C12CC3CC(C1)C(NC(=O)C1SCCN1S(=O)(=O)c1ccc(Cl)c(Cl)c1)C(C3)C2
Basic Information
| ChEMBL ID | CHEMBL1642617 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | VYJHLADPYMWYQC-UHFFFAOYSA-N |
1
Targets
1
Activities
1
Assay Types
0
PK Parameters
1
Publications
0
Known Names
Molecular Properties
533.5
MW (Da)
3.54
ALogP
6
HBA
1
HBD
92.8
PSA (Ų)
0.58
QED
1
Ro5 Violations
5
Rot. Bonds
Drug Information
| Molecule Type | Small molecule |
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
IC50 1 meas. best 6.77
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| 11-beta-hydroxysteroid dehydrogenase 1 CHEMBL4235 | IC50 | 6.77 | 6.77 | 170.0 | 1 |
Activity Data Samples
Top measurements by pChEMBL value
| Target | Type | Rel. | Value | Units | pChEMBL | Assay | PubMed |
|---|---|---|---|---|---|---|---|
| 11-beta-hydroxysteroid dehydrogenase 1 | IC50 | = | 170.0 | nM | 6.77 | Inhibition of human 11beta-HSD1 expressed in CHO cells after 3 hrs by HTRF corti... | 21093259 |
Literature References
| PubMed | DOI | Target Context | # Activities |
|---|---|---|---|
| 21093259 | 10.1016/j.bmcl.2010.10.123 | 11-beta-hydroxysteroid dehydrogenase 1 | 1 |
Data from ChEMBL 36 via Core Engine