LP46 |
LP46 : Inhibitor of IKBKB
Probe Summary
Selectivity
Potency
In Vivo
Control Compounds
Chemical Information
References
Vendors
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Probe Summary
| Targets | Biochemical/Biophysical Potency | Cellular Potency |
|---|---|---|
| IKBKB |
|
|
Inhibitor
up to 5 µM
Selectivity
In Vitro Selectivity Assessment
Potency Assay Off-Target:
Screening against a panel of 97 kinases across the kinome, LP46 @ 100 nM displayed the highest bindi ...
Potency Cellular
In Vitro
IKBKB
Mode of Action: Inhibitor
Structure-Activity-Relationship data available? Yes
DOI Reference: 10.1021/acs.jmedchem.5c01938
In Vivo Validations
Rat
Dose: 3 mg/Kg
Route of delivery:
Intravenous
Plasma half life:
2.5 h
Cmax:
964.21 ng/mL
Tmax:
0.083 h
Area Under the Curve::
5875.70 h·ng/mL
DOI Reference: 10.1021/acs.jmedchem.5c01938
Dose: 7.5 mg/Kg
Route of delivery:
Intraperitoneal
Plasma half life:
2.7 h
Cmax:
2356.93 ng/mL
Tmax:
2 h
Area Under the Curve::
9929.14 h·ng/mL
Bioavailability:
68.33%
DOI Reference: 10.1021/acs.jmedchem.5c01938
Dose: 10 mg/Kg
Route of delivery:
Oral
Plasma half life:
3.26 h
Cmax:
1099.46 ng/mL
Tmax:
1 h
Area Under the Curve::
6266.62 h·ng/mL
Bioavailability:
34.08%
DOI Reference: 10.1021/acs.jmedchem.5c01938
Chemical Information
| Molecular Formula | C23H24FN7 |
| SMILEs | CN1CCN(c2cccc(Nc3ncc(F)c(-c4ccc5cnn(C)c5c4)n3)c2)CC1 |
| InChI | InChI=1S/C23H24FN7/c1-29-8-10-31(11-9-29)19-5-3-4-18(13-19)27-23-25-15-20(24)22(28-23)16-6-7-17-14-26-30(2)21(17)12-16/h3-7,12-15H,8-11H2,1-2H3,(H,25,27,28) |
| Molecular weight | 417.21 Da |
| AlogP | 3.6648000000000023 |
| HBond acceptors | 7 |
| HBond donors | 1 |
| Atoms | 55 |