Compound Detail
CHEMBL4647977
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CC(C)C1CN(CC(=O)NC2C3CC4CC2CC(C(N)=O)(C4)C3)S(=O)(=O)N(c2c(Cl)cc(C(F)(F)F)cc2Cl)C1
Basic Information
| ChEMBL ID | CHEMBL4647977 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | FIXWBSDNSNDWJI-UHFFFAOYSA-N |
2
Targets
2
Activities
1
Assay Types
0
PK Parameters
1
Publications
0
Known Names
Molecular Properties
625.5
MW (Da)
4.45
ALogP
4
HBA
2
HBD
112.8
PSA (Ų)
0.49
QED
1
Ro5 Violations
6
Rot. Bonds
Drug Information
| Molecule Type | Unknown |
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
IC50 2 meas. best 6.01
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| 11-beta-hydroxysteroid dehydrogenase 1 CHEMBL4235 | IC50 | 6.01 | 6.01 | 981.0 | 1 |
| 11-beta-hydroxysteroid dehydrogenase 1 CHEMBL3910 | IC50 | 5.55 | 5.55 | 2803.0 | 1 |
Activity Data Samples
Top measurements by pChEMBL value
| Target | Type | Rel. | Value | Units | pChEMBL | Assay | PubMed |
|---|---|---|---|---|---|---|---|
| 11-beta-hydroxysteroid dehydrogenase 1 | IC50 | = | 981.0 | nM | 6.01 | Inhibition of human 11beta-HSD1 expressed in CHOK1 cells using XL665-labeled cor... | 31759849 |
| 11-beta-hydroxysteroid dehydrogenase 1 | IC50 | = | 2803.0 | nM | 5.55 | Inhibition of mouse 11beta-HSD1 expressed in CHOK1 cells using XL665-labeled cor... | 31759849 |
Literature References
| PubMed | DOI | Target Context | # Activities |
|---|---|---|---|
| 31759849 | 10.1016/j.bmcl.2019.126787 | 11-beta-hydroxysteroid dehydrogenase 1 | 2 |
Data from ChEMBL 36 via Core Engine