GNE-2256 |
Inhibitor of IRAK4
Probe Summary
Selectivity
Potency
In Vivo
Control Compounds
Chemical Information
References
Vendors
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Probe Summary
| Targets | Biochemical/Biophysical Potency | Cellular Potency |
|---|---|---|
| IRAK4 |
|
|
Inhibitor
up to 1 uM
Selectivity
In Vitro Selectivity Assessment
Selectivity Assessment Description:
Selectivity within target family - Kinase panel (221) at 1 µM: Closest off-targets (IC50 [nM]) are F ...
Potency Cellular
In Vitro
IRAK4
Mode of Action: Inhibitor
Structure-Activity-Relationship data available? Yes
DOI Reference: 10.1021/acsmedchemlett.9b00380
In Vivo Validations
Mouse
Dose: 1 mg/Kg IV and PO
Route of delivery:
Intravenous, Oral
Plasma half life:
1.9 h
Systemic clearance:
29 mL/min/kg
Area Under the Curve::
1.2 μM·h
Fb :
94.2%
Bioavailability:
34%
Volume of Distribution at Steady-State:
2.2 L/Kg
DOI Reference: 10.1021/acsmedchemlett.9b00380
Rat
Dose: 1 mg/Kg IV and PO
Route of delivery:
Intravenous, Oral
Plasma half life:
1.6 h
Systemic clearance:
9.2 mL/min/Kg
Area Under the Curve::
3.8 μM·h
Fb :
91.4%
Bioavailability:
31%
Volume of Distribution at Steady-State:
0.95 L/Kg
DOI Reference: 10.1021/acsmedchemlett.9b00380
Dog
Dose: 1 mg/Kg IV and PO
Route of delivery:
Intravenous, Oral
Plasma half life:
4.1 h
Systemic clearance:
11.3 mL/min/Kg
Area Under the Curve::
3.1 μM·h
Fb :
77.6 %
Bioavailability:
109%
Volume of Distribution at Steady-State:
3.7 L/Kg
DOI Reference: 10.1021/acsmedchemlett.9b00380
Monkey (Cynomolgus)
Dose: 1 mg/Kg IV and PO
Route of delivery:
Intravenous, Oral
Plasma half life:
5.4 h
Systemic clearance:
15.8 mL/min/Kg
Area Under the Curve::
2.2 μM·h
Fb :
66.8%
Bioavailability:
47%
Volume of Distribution at Steady-State:
3.7 L/Kg
DOI Reference: 10.1021/acsmedchemlett.9b00380
Negative Control Compounds
GNE-6689
Notes: GNE-6689: NanoBRET: IC50 = 7.26 µM (SGC Frankfurt) Clean kinase profile, clean CEREP panel
InChI:
InChI=1S/C25H29FN6O4/c1-25(2,35)21(26)15-31-14-16-11-19(20(12-17(16)24(31)34)30-7-9-36-10-8-30)29(3)23(33)18-13-28-32-6-4-5-27-22(18)32/h4-6,11-13,21,35H,7-10,14-15H2,1-3H3/t21-/m1/s1
Chemical Information
| Molecular Formula | C24H27FN6O4 |
| SMILEs | CC(C)(O)[C@H](F)CN1Cc2cc(NC(=O)c3cnn4cccnc34)c(N3CCOCC3)cc2C1=O |
| InChI | InChI=1S/C24H27FN6O4/c1-24(2,34)20(25)14-30-13-15-10-18(19(11-16(15)23(30)33)29-6-8-35-9-7-29)28-22(32)17-12-27-31-5-3-4-26-21(17)31/h3-5,10-12,20,34H,6-9,13-14H2,1-2H3,(H,28,32)/t20-/m1/s1 |
| Molecular weight | 482.21 Da |
| AlogP | 1.883 |
| HBond acceptors | 10 |
| HBond donors | 2 |
| Atoms | 62 |
| PAINS * | Yes |
* This is an automated alert only, and may not necessarily indicate an issue with this probe. ( Learn more about PAINS )