MRK-560 |
Inhibitor of PSEN1
Probe Summary
Selectivity
Potency
In Vivo
Control Compounds
Chemical Information
References
Vendors
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Probe Summary
| Targets | Biochemical/Biophysical Potency | Cellular Potency |
|---|---|---|
| PSEN1 |
|
|
Inhibitor
up to 100 nM
Selectivity
In Vitro Selectivity Assessment
Potency Assay Off-Target:
The compound was profiled in a large panel of off-targets
Selectivity Assessment Description:
All off-targets out of 171 enzymes and receptors are > 100-fold less potent. MRK-560 demonstrated ac ...
Potency Cellular
In Vitro
PSEN1
Mode of Action: Inhibitor
Structure-Activity-Relationship data available? Yes
DOI Reference: 10.1016/j.bmcl.2005.10.009
In Vivo Validations
Rat
Dose: 1 mg/kg IV, 5 mg/Kg PO
Plasma half life:
>15 h
Systemic clearance:
<5 ml/min/kg
Tmax:
12 h PO
Bioavailability:
70-90 %
Volume of Distribution at Steady-State:
6 L/Kg
Organ of interest (O):
Brain
Target engagement assay:
MRK-560 caused a dose-dependent reduction in both brain and CSF Aβ(40) levels
DOI Reference: 10.1124/jpet.105.100271
Negative Control Compounds
GSI-NC
Notes: > 1000 fold less potent in cells than probe compound; Shows some off-target activity in GPCR scan: HTR2B (Ki = 21 nM) and SIGMAR1 (Ki = 223 nM)
Chemical Information
| Molecular Formula | C19H17ClF5NO4S2 |
| SMILEs | O=S(=O)(NC1CCC(c2cc(F)ccc2F)(S(=O)(=O)c2ccc(Cl)cc2)CC1)C(F)(F)F |
| InChI | InChI=1S/C19H17ClF5NO4S2/c20-12-1-4-15(5-2-12)31(27,28)18(16-11-13(21)3-6-17(16)22)9-7-14(8-10-18)26-32(29,30)19(23,24)25/h1-6,11,14,26H,7-10H2 |
| Molecular weight | 517.02 Da |
| AlogP | 0.0 |
| HBond acceptors | 5 |
| HBond donors | 1 |
| Atoms | 49 |
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