PF-06835919 |
PF-06835919 : Inhibitor of KHK
Probe Summary
Selectivity
Potency
In Vivo
Control Compounds
Chemical Information
References
Vendors
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Probe Summary
| Targets | Biochemical/Biophysical Potency | Cellular Potency |
|---|---|---|
| KHK |
|
|
Inhibitor
up to 1 uM
Selectivity
In Vitro Selectivity Assessment
Potency Assay Off-Target:
Tested against other sugar kinases
Human ribokinase 0.1 mM ATP >100 uM,
Human glucokinase 0.8 mM AT ...
Potency Cellular
In Vitro
KHK
Mode of Action: Inhibitor
Structure-Activity-Relationship data available? Yes
DOI Reference: 10.1021/acs.jmedchem.0c00944
In Vivo Validations
Rat
Dose: 1 mg/Kg
Route of delivery:
Intravenous
Plasma half life:
7.71 h
Systemic clearance:
0.358 mL/min/kg
Area Under the Curve::
41800 ng·h/mL
Volume of Distribution at Steady-State:
0.20 L/Kg
DOI Reference: 10.1021/acs.jmedchem.0c00944
Dose: 5 mg/Kg
Route of delivery:
Oral
Plasma half life:
5.7 h
Cmax:
24100 ng/mL
Tmax:
2.1 h
Area Under the Curve::
210000 ng·h/mL
Bioavailability:
95%
DOI Reference: 10.1021/acs.jmedchem.0c00944
Dog
Dose: 1 mg/Kg
Route of delivery:
Intravenous
Plasma half life:
5.57 ± 1.77 h
Systemic clearance:
1.31 ± 0.55 mL/min/kg
Volume of Distribution at Steady-State:
0.165 ± 0.04 L/Kg
DOI Reference: 10.1021/acs.jmedchem.0c00944
Dose: 5 mg/Kg
Route of delivery:
Oral
Plasma half life:
3.4 h
Cmax:
31900 ng/mL
Tmax:
0.5 h
Area Under the Curve::
157000 ng·h/mL
Bioavailability:
>100%
DOI Reference: 10.1021/acs.jmedchem.0c00944
Chemical Information
| Molecular Formula | C16H19F3N4O2 |
| SMILEs | C[C@H]1CCN1c1nc(N2C[C@H]3[C@H](CC(=O)O)[C@H]3C2)cc(C(F)(F)F)n1 |
| InChI | InChI=1S/C16H19F3N4O2/c1-8-2-3-23(8)15-20-12(16(17,18)19)5-13(21-15)22-6-10-9(4-14(24)25)11(10)7-22/h5,8-11H,2-4,6-7H2,1H3,(H,24,25)/t8-,9-,10-,11+/m0/s1 |
| Molecular weight | 356.15 Da |
| AlogP | 2.2509000000000006 |
| HBond acceptors | 6 |
| HBond donors | 1 |
| Atoms | 44 |
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