APY0201 |
APY0201 : Inhibitor of PIKFYVE
Probe Summary
Selectivity
Potency
In Vivo
Control Compounds
Chemical Information
References
Vendors
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Probe Summary
| Targets | Biochemical/Biophysical Potency | Cellular Potency |
|---|---|---|
| PIKFYVE |
|
|
Inhibitor
up to 300 nM
Selectivity
In Vitro Selectivity Assessment
Selectivity Assessment Description:
In situ native kinase profiling approach (KiNativ profile) using an ATP-competitive probe and Jurkat ...
Potency Cellular
In Vitro
PIKFYVE
Mode of Action: Inhibitor
Structure-Activity-Relationship data available? No
DOI Reference: 10.1016/j.bmc.2014.03.036
In Vivo Validations
Mouse
Dose: 3 mg/Kg
Route of delivery:
Intravenous
Systemic clearance:
1.0 L/h/Kg
Area Under the Curve::
2.9 μg*h/mL
Fb :
92 %
Volume of Distribution at Steady-State:
1.2 L/Kg
DOI Reference: 10.1016/j.bmc.2014.03.036
Dose: 10 mg/Kg
Route of delivery:
Intravenous
Systemic clearance:
0.8 L/h/kg
Area Under the Curve::
12.2 μg*h/mL
Volume of Distribution at Steady-State:
0.9 L/Kg
DOI Reference: 10.1016/j.bmc.2014.03.036
Dose: 30 mg/Kg
Route of delivery:
Oral
Cmax:
7.2 uM
Area Under the Curve::
12.3 ug*h/mL
Bioavailability:
76%
DOI Reference: 10.1016/j.bmc.2014.03.036
Negative Control Compounds
cpd 6
Notes: IC50 >2000 for IL-12p70 Inhibition
SMILES:
CC1=NC2=CC(C3=CC=C(N4CCNCC4)C=C3)=NN2C(N5CCOCC5)=C1
Chemical Information
| Molecular Formula | C23H23N7O |
| SMILEs | Cc1cccc(/C=N/Nc2cc(N3CCOCC3)n3nc(-c4ccncc4)cc3n2)c1 |
| InChI | InChI=1S/C23H23N7O/c1-17-3-2-4-18(13-17)16-25-27-21-15-23(29-9-11-31-12-10-29)30-22(26-21)14-20(28-30)19-5-7-24-8-6-19/h2-8,13-16H,9-12H2,1H3,(H,26,27)/b25-16+ |
| Molecular weight | 413.20 Da |
| AlogP | 3.3823200000000018 |
| HBond acceptors | 8 |
| HBond donors | 1 |
| Atoms | 54 |
Vendors
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