UCB9386 |
UCB9386 : Inhibitor of NUAK1
Probe Summary
Selectivity
Potency
In Vivo
Control Compounds
Chemical Information
References
Vendors
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Probe Summary
| Targets | Biochemical/Biophysical Potency | Cellular Potency |
|---|---|---|
| NUAK1 |
|
|
Inhibitor
uo to 100 nM
Selectivity
In Vitro Selectivity Assessment
Potency Assay Off-Target:
Kinome selectivity of UCB9386 was measured at 10 nM in the diversity panel and only Jak2 and Nuak2 w ...
Potency Cellular
In Vitro
NUAK1
Mode of Action: Inhibitor
Structure-Activity-Relationship data available? Yes
DOI Reference: 10.1021/acs.jmedchem.4c01237
In Vivo Validations
Mouse
Dose: 10 mg/Kg
Route of delivery:
Subcutaneous
Plasma half life:
>3 h
Systemic clearance:
32.7 mL/min/kg
Organ of interest (O):
brain
Target engagement assay:
calculated free brain concentration was predicted to be maintained above 80% Nuak1 occupancy for 12 h, using the nanoBRET IC50
DOI Reference: 10.1021/acs.jmedchem.4c01237
Dose:
Route of delivery:
oral gavage
Plasma half life:
> 3 h
Systemic clearance:
54.6 mL/min/kg
DOI Reference: 10.1021/acs.jmedchem.4c01237
Chemical Information
| Molecular Formula | C27H26N8O |
| SMILEs | C[C@H](c1ccccc1)n1c(=O)c(N2CC3(CN(C)C3)C2)nc2cnc(-c3cnc4cccnn34)cc21 |
| InChI | InChI=1S/C27H26N8O/c1-18(19-7-4-3-5-8-19)34-22-11-20(23-13-29-24-9-6-10-30-35(23)24)28-12-21(22)31-25(26(34)36)33-16-27(17-33)14-32(2)15-27/h3-13,18H,14-17H2,1-2H3/t18-/m1/s1 |
| Molecular weight | 478.22 Da |
| AlogP | 2.862300000000001 |
| HBond acceptors | 9 |
| HBond donors | -- |
| Atoms | 62 |