Compound Detail
CHEMBL3897844
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CN(CC1(C(=O)NC2C3CC4CC2CC(C(N)=O)(C4)C3)CC1)S(=O)(=O)c1ccccc1F
Basic Information
| ChEMBL ID | CHEMBL3897844 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | FABAFWAHCRFNRS-UHFFFAOYSA-N |
1
Targets
1
Activities
1
Assay Types
0
PK Parameters
0
Publications
0
Known Names
Molecular Properties
463.6
MW (Da)
2.02
ALogP
4
HBA
2
HBD
109.6
PSA (Ų)
0.64
QED
0
Ro5 Violations
7
Rot. Bonds
Drug Information
| Molecule Type | Small molecule |
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
IC50 1 meas. best 10.7
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| 11-beta-hydroxysteroid dehydrogenase 1 CHEMBL4235 | IC50 | 10.7 | 10.7 | 0.0 | 1 |
Activity Data Samples
Top measurements by pChEMBL value
| Target | Type | Rel. | Value | Units | pChEMBL | Assay | PubMed |
|---|---|---|---|---|---|---|---|
| 11-beta-hydroxysteroid dehydrogenase 1 | IC50 | = | 0.02 | nM | 10.7 | HTRF Assay : The inhibiting activity of 11β-HSD1 derived from microsomal fractio... | - |
Data from ChEMBL 36 via Core Engine