LRRK2-IN1 |
LRRK2-IN1 : Inhibitor of LRRK2
Probe Summary
Selectivity
Potency
In Vivo
Control Compounds
Chemical Information
References
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Probe Summary
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| Targets | Biochemical/Biophysical Potency | Cellular Potency |
|---|---|---|
| LRRK2 (Mutant:WT, G2019S) |
|
Inhibitor
10-20 µM
Selectivity
In Vitro Selectivity Assessment
DCLK2
Gene ID: Q8N568
Organism: Homo sapiens
Family: CAMK Ser/Thr protein kinase family
Potency: IC50 - 45 nM
Potency Assay Off-Target:
LRRK2-IN-1 inhibits only 12 kinases among the Ambit 442 diverse kinases panel with a score of less t ...
In Cell Selectivity Assessment
Potency Assay Off-Target:
Activity-based proteomics against 260 kinases using the KiNativ technology (ActivX Biosciences).
the ...
Potency Cellular
In Vitro
LRRK2
(Mutant:WT, G2019S)
Mode of Action: Inhibitor
Structure-Activity-Relationship data available? No
DOI Reference: 10.1038/nchembio.538
In Vivo Validations
Mouse
Dose: 1 mg/Kg
Route of delivery:
Intravenous
Plasma half life:
4.47 h
Systemic clearance:
5.6 mL/min/Kg
Area Under the Curve::
2974 h*ng/mL
Volume of Distribution at Steady-State:
1.71 L/Kg
DOI Reference: 10.1038/nchembio.538
Dose: 10 mg/Kg
Route of delivery:
Oral
Cmax:
1618 ng/mL
Tmax:
1.0 h
Area Under the Curve::
14758 hr*ng/mL
Bioavailability:
49.3%
DOI Reference: 10.1038/nchembio.538
Chemical Information
| Molecular Formula | C31H38N8O3 |
| SMILEs | COc1cc(C(=O)N2CCC(N3CCN(C)CC3)CC2)ccc1Nc1ncc2c(n1)N(C)c1ccccc1C(=O)N2C |
| InChI | InChI=1S/C31H38N8O3/c1-35-15-17-38(18-16-35)22-11-13-39(14-12-22)29(40)21-9-10-24(27(19-21)42-4)33-31-32-20-26-28(34-31)36(2)25-8-6-5-7-23(25)30(41)37(26)3/h5-10,19-20,22H,11-18H2,1-4H3,(H,32,33,34) |
| Molecular weight | 570.31 Da |
| AlogP | 3.4387 |
| HBond acceptors | 11 |
| HBond donors | 1 |
| Atoms | 80 |