BLU-654 |
BLU-654 : Inhibitor of KIT
Probe Summary
Selectivity
Potency
In Vivo
Control Compounds
Chemical Information
References
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Probe Summary
| Targets | Biochemical/Biophysical Potency | Cellular Potency |
|---|---|---|
| KIT (Mutant:WT, V654A) |
|
|
up to 1 uM
Selectivity
In Vitro Selectivity Assessment
Potency Assay Off-Target:
DiscoverX KINOMEScan selectivity profiling at 3 μM
Selectivity Assessment Description:
BLU-654 exibiterd substantial selectivity margin over WT (15-fold) and PDGFRβ (219-fold) and exhibit ...
Potency Cellular
In Vitro
KIT
(Mutant:WT, V654A)
Mode of Action: Inhibitor
Structure-Activity-Relationship data available? Yes
DOI Reference: 10.1021/acs.jmedchem.5c03554
In Vivo Validations
Rat
Dose: 1 mg/kg IV, 5 mg/kg PO
Route of delivery:
Intravenous, Oral
Plasma half life:
4.7 h
Systemic clearance:
15.2 mL/min/Kg
Bioavailability:
123%
Volume of Distribution at Steady-State:
3.1 L/Kg
DOI Reference: 10.1021/acs.jmedchem.5c03554
Monkey (Cynomolgus)
Dose: 0.5 mg/Kg
Route of delivery:
Intravenous
Plasma half life:
2.9 h
Systemic clearance:
4.2 mL/min/Kg
Volume of Distribution at Steady-State:
1.0 L/Kg
DOI Reference: 10.1021/acs.jmedchem.5c03554
Dog
Dose: 0.5 mg/kg IV, 1.5 mg/kg PO
Route of delivery:
Intravenous, Oral
Plasma half life:
5.3 h
Systemic clearance:
9.0 mL/min/Kg
Bioavailability:
94.8%
Volume of Distribution at Steady-State:
3.7 L/Kg
DOI Reference: 10.1021/acs.jmedchem.5c03554
Orthogonal Probes def
Chemical Information
| Molecular Formula | C21H28FN7O2 |
| SMILEs | CC(C)Oc1cc(Nc2cc(N)nc([C@H](C)F)n2)ncc1-c1cnn(CC(C)(C)O)c1 |
| InChI | InChI=1S/C21H28FN7O2/c1-12(2)31-16-6-18(27-19-7-17(23)26-20(28-19)13(3)22)24-9-15(16)14-8-25-29(10-14)11-21(4,5)30/h6-10,12-13,30H,11H2,1-5H3,(H3,23,24,26,27,28)/t13-/m0/s1 |
| Molecular weight | 429.23 Da |
| AlogP | 3.6495000000000024 |
| HBond acceptors | 9 |
| HBond donors | 4 |
| Atoms | 59 |