AZD-4017 |
AZD-4017 : Inhibitor of HSD11B1
Probe Summary
Selectivity
Potency
In Vivo
Control Compounds
Chemical Information
References
Vendors
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Probe Summary
| Targets | Biochemical/Biophysical Potency | Cellular Potency |
|---|---|---|
| HSD11B1 |
|
|
Inhibitor
up to 100 nM
Selectivity
In Vitro Selectivity Assessment
Potency Assay Off-Target:
AZD-4017 displayed excellent selectivity versus the related enzymes 11-βHSD2, 17β-HSD1, 17β-HSD3 (al ...
Potency Cellular
In Vitro
HSD11B1
Mode of Action: Inhibitor
Structure-Activity-Relationship data available? Yes
DOI Reference: 10.1021/jm300592r
In Vivo Validations
Mouse
Dose:
Route of delivery:
Intravenous, Oral
Plasma half life:
4.2 h IV, 3.2 h PO
Systemic clearance:
16 mL/min/Kg
Bioavailability:
>100%
Volume of Distribution at Steady-State:
4.2 L/Kg
DOI Reference: 10.1021/jm300592r
Rat
Dose:
Route of delivery:
Intravenous, Oral
Plasma half life:
4.4 h IV, 4.7 h PO
Systemic clearance:
9 mL/min/Kg
Bioavailability:
>100%
Volume of Distribution at Steady-State:
2.6 L/Kg
DOI Reference: 10.1021/jm300592r
Dog
Dose:
Route of delivery:
Intravenous, Oral
Plasma half life:
6.2 h IV, 4.9 h PO
Systemic clearance:
7 mL/min/Kg
Bioavailability:
60%
Volume of Distribution at Steady-State:
0.9 L/Kg
DOI Reference: 10.1021/jm300592r
Chemical Information
| Molecular Formula | C22H33N3O3S |
| SMILEs | CCCSc1nc(N2CCC[C@@H](CC(=O)O)C2)ccc1C(=O)NC1CCCCC1 |
| InChI | InChI=1S/C22H33N3O3S/c1-2-13-29-22-18(21(28)23-17-8-4-3-5-9-17)10-11-19(24-22)25-12-6-7-16(15-25)14-20(26)27/h10-11,16-17H,2-9,12-15H2,1H3,(H,23,28)(H,26,27)/t16-/m0/s1 |
| Molecular weight | 419.22 Da |
| AlogP | 4.337300000000003 |
| HBond acceptors | 6 |
| HBond donors | 2 |
| Atoms | 62 |
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