BMS-509744 |
BMS-509744 : Inhibitor of ITK
Probe Summary
Selectivity
Potency
In Vivo
Control Compounds
Chemical Information
References
Vendors
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Probe Summary
| Targets | Biochemical/Biophysical Potency | Cellular Potency |
|---|---|---|
| ITK |
|
|
Inhibitor
up to 1 uM
Selectivity
In Vitro Selectivity Assessment
Potency Assay Off-Target:
Selectivity studies in vitro revealed that the compound showed >200-fold selectivity versus other Te ...
In Cell Selectivity Assessment
Potency Assay Off-Target:
To further analyze compound selectivity in cells, their effects on cellular tyrosine phosphorylation ...
Potency Cellular
In Vitro
ITK
Mode of Action: Inhibitor
Structure-Activity-Relationship data available? No
DOI Reference: 10.1021/bi049428r
In Vivo Validations
Mouse
Dose: 10 mg/Kg
Route of delivery:
Intravenous
Plasma half life:
1.3 h
Systemic clearance:
116 mL/min/Kg
Tmax:
0.05 h
Volume of Distribution at Steady-State:
7 L/Kg
DOI Reference: 10.1016/j.bmcl.2006.04.060
Dose: 20 mg/Kg
Route of delivery:
Oral
Plasma half life:
1.4 h
Systemic clearance:
0.069 mL/min/Kg
Tmax:
1 h
Volume of Distribution at Steady-State:
6.4 L/Kg
DOI Reference: 10.1016/j.bmcl.2006.04.060
Chemical Information
| Molecular Formula | C32H41N5O4S2 |
| SMILEs | COc1cc(C)c(Sc2cnc(NC(=O)c3ccc(CNC(C)C(C)(C)C)cc3)s2)cc1C(=O)N1CCN(C(C)=O)CC1 |
| InChI | InChI=1S/C32H41N5O4S2/c1-20-16-26(41-7)25(30(40)37-14-12-36(13-15-37)22(3)38)17-27(20)42-28-19-34-31(43-28)35-29(39)24-10-8-23(9-11-24)18-33-21(2)32(4,5)6/h8-11,16-17,19,21,33H,12-15,18H2,1-7H3,(H,34,35,39) |
| Molecular weight | 623.26 Da |
| AlogP | 0.0 |
| HBond acceptors | 9 |
| HBond donors | 2 |
| Atoms | 84 |