BI 605906 |
Inhibitor of IKBKB
Probe Summary
Selectivity
Potency
In Vivo
Control Compounds
Chemical Information
References
Vendors
Download
Probe Summary
| Targets | Biochemical/Biophysical Potency | Cellular Potency |
|---|---|---|
| IKBKB |
|
|
Inhibitor
5 uM
Selectivity
In Vitro Selectivity Assessment
Potency: Dmax
Selectivity Assessment Description:
Within targer family: 3 hits out of 397 kinases; Dose response measurements: GAK IC50 = 188 nM; AAK1 ...
Potency Cellular
In Vitro
IKBKB
Mode of Action: Inhibitor
Structure-Activity-Relationship data available? Yes
DOI Reference: 10.1042/BJ20101701
In Vivo Validations
Mouse
Dose: 1 mg/Kg IV, 10 mg/Kg PO
Route of delivery:
Intravenous, Oral
Plasma half life:
0.8 h
Systemic clearance:
33% QH
Cmax:
2000 nM
Tmax:
0/5 h
Bioavailability:
38%
Volume of Distribution at Steady-State:
1.5 L/Kg
DOI Reference: 10.1042/BJ20101701
Rat
Dose: 1 mg/Kg IV, 10 mg/Kg PO
Route of delivery:
Intravenous, Oral
Plasma half life:
0.9 h
Systemic clearance:
38% QH
Cmax:
490 nM
Tmax:
2.3 h
Bioavailability:
38%
Volume of Distribution at Steady-State:
1.5 L/Kg
Target engagement assay:
BI605906 shows dose-responsive effects in the rat collagen-induced arthritis, model demonstrating comparable efficacy to anti-TNFa standard etanercept at a dose of 60 mg/kg.
DOI Reference: 10.1042/BJ20101701
Dog
Dose: 1 mg/Kg IV, 10 mg/Kg PO
Route of delivery:
Intravenous, Oral
Plasma half life:
2.4 h
Systemic clearance:
27% QH
Cmax:
800 nM
Tmax:
2.3 h
Bioavailability:
24%
Volume of Distribution at Steady-State:
1.2 L/Kg
DOI Reference: 10.1042/BJ20101701
Monkey (Cynomolgus)
Dose: 1 mg/Kg IV, 10 mg/Kg PO
Route of delivery:
Intravenous, Oral
Plasma half life:
3.4 h
Systemic clearance:
18% QH
Cmax:
240 nM
Tmax:
12 h
Bioavailability:
16%
Volume of Distribution at Steady-State:
1.6 L/Kg
DOI Reference: 10.1042/BJ20101701
Negative Control Compounds
BI-5026
InChI:
InChI=1S/C17H21F3N4O3S2/c1-23(2)16(25)14-13(21)12-10(17(18,19)20)8-11(22-15(12)28-14)24-6-4-9(5-7-24)29(3,26)27/h8-9H,4-7,21H2,1-3H3
Chemical Information
| Molecular Formula | C17H22F2N4O3S2 |
| SMILEs | CCC(F)(F)c1cc(N2CCC(S(C)(=O)=O)CC2)nc2sc(C(N)=O)c(N)c12 |
| InChI | InChI=1S/C17H22F2N4O3S2/c1-3-17(18,19)10-8-11(23-6-4-9(5-7-23)28(2,25)26)22-16-12(10)13(20)14(27-16)15(21)24/h8-9H,3-7,20H2,1-2H3,(H2,21,24) |
| Molecular weight | 432.11 Da |
| AlogP | 2.4926 |
| HBond acceptors | 7 |
| HBond donors | 4 |
| Atoms | 50 |
References
Publications
Vendors
Note: This is not an exhaustive list and does not indicate endorsement by the portal.