BIIB129 |
BIIB129 : Covalent Inhibitor of BTK
Probe Summary
Selectivity
Potency
In Vivo
Control Compounds
Chemical Information
References
Vendors
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Probe Summary
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| Targets | Biochemical/Biophysical Potency | Cellular Potency |
|---|---|---|
| BTK |
|
|
Covalent Inhibitor
100 nM
up to 1 µM
Selectivity
In Vitro Selectivity Assessment
Potency Assay Off-Target:
KINOMEscan, Eurofins DiscoverX, for BIIB129 was performed at 1 μM concentration. Ten and 5 out of 40 ...
In Cell Selectivity Assessment
Potency Assay Off-Target:
BIIB129 shown to bind only 4 of 190 kinases (BTK TO50 = 6.8 nM, TEC TO50 = 18 nM, ITK TO50 = 308 nM ...
Potency Cellular
In Vitro
BTK
Mode of Action: Covalent Inhibitor
Structure-Activity-Relationship data available? No
DOI Reference: 10.1021/acs.jmedchem.4c00220
In Vivo Validations
Rat
Dose:
Route of delivery:
Intravenous
Plasma half life:
3.59 h
Systemic clearance:
25 mL./min/Kg
Bioavailability:
25%
Volume of Distribution at Steady-State:
4.3 L/Kg
DOI Reference: 10.1021/acs.jmedchem.4c00220
Monkey (Cynomolgus)
Dose:
Route of delivery:
Intravenous
Plasma half life:
0.29 h
Systemic clearance:
53.5 mL/min/Kg
Bioavailability:
21%
Volume of Distribution at Steady-State:
1.19 L/Kg
DOI Reference: 10.1021/acs.jmedchem.4c00220
Chemical Information
| Molecular Formula | C19H22N6O2 |
| SMILEs | C=CC(=O)N(C)C1CC(C)(Oc2nc(-c3cnn(C)c3)cn3nccc23)C1 |
| InChI | InChI=1S/C19H22N6O2/c1-5-17(26)24(4)14-8-19(2,9-14)27-18-16-6-7-20-25(16)12-15(22-18)13-10-21-23(3)11-13/h5-7,10-12,14H,1,8-9H2,2-4H3 |
| Molecular weight | 366.18 Da |
| AlogP | 2.0740999999999996 |
| HBond acceptors | 8 |
| HBond donors | -- |
| Atoms | 49 |