BAY-8400 |
BAY-8400 : Inhibitor of PRKDC
Probe Summary
Selectivity
Potency
In Vivo
Control Compounds
Chemical Information
References
Vendors
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Probe Summary
| Targets | Biochemical/Biophysical Potency | Cellular Potency |
|---|---|---|
| PRKDC |
|
|
Inhibitor
500 nM
up to 1 uM
Selectivity
In Vitro Selectivity Assessment
Potency Assay Off-Target:
Selectivity vs ATM (ratio of biochemical IC50 values) >200.
Evaluation of BAY-8400 in the in-house k ...
In Cell Selectivity Assessment
Potency Assay Off-Target:
BAY-8400 showed good selectivity against PI3K and ATR (ratio of IC50 values: PI3K/DNA-PK > 15 and AT ...
Potency Cellular
In Vitro
PRKDC
Mode of Action: Inhibitor
Structure-Activity-Relationship data available? Yes
DOI Reference: 10.1021/acs.jmedchem.1c00762
In Vivo Validations
Rat
Dose: 0.3 mg/kg IV, 0.6 mg/kg PO
Route of delivery:
Intravenous, Oral
Plasma half life:
0.84 h IV
Systemic clearance:
2.2 L/h/Kg IV
Bioavailability:
22% PO
Volume of Distribution at Steady-State:
1.8 L/Kg IV
DOI Reference: 10.1021/acs.jmedchem.1c00762
Mouse
Dose: 0.3 mg/kg
Route of delivery:
Intravenous
Plasma half life:
0.68 h IV
Systemic clearance:
8.1 L/h/kg
Volume of Distribution at Steady-State:
3.7 L/kg
DOI Reference: 10.1021/acs.jmedchem.1c00762
Chemical Information
| Molecular Formula | C21H17F2N5O |
| SMILEs | FC(F)c1cncc(-c2ccc3ncc4nnc(C5=CCCOCC5)n4c3c2)c1 |
| InChI | InChI=1S/C21H17F2N5O/c22-20(23)16-8-15(10-24-11-16)14-3-4-17-18(9-14)28-19(12-25-17)26-27-21(28)13-2-1-6-29-7-5-13/h2-4,8-12,20H,1,5-7H2 |
| Molecular weight | 393.14 Da |
| AlogP | 0.0 |
| HBond acceptors | 6 |
| HBond donors | -- |
| Atoms | 46 |
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