DS-1971a |
Inhibitor of SCN9A
Probe Summary
Selectivity
Potency
In Vivo
Control Compounds
Chemical Information
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Probe Summary
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| Targets | Biochemical/Biophysical Potency | Cellular Potency |
|---|---|---|
| SCN9A |
|
Inhibitor
100 - 1000 nM
Selectivity
In Cell Selectivity Assessment
Selectivity Assessment Description:
<strong>Within Target Family: </strong>Weak inhibitory activity was observed against hNaV1.2 and ...
Potency Cellular
In Vitro
SCN9A
Mode of Action: Inhibitor
Structure-Activity-Relationship data available? No
DOI Reference: 10.1021/acs.jmedchem.0c00259
In Vivo Validations
Mouse
Dose: 1 mg/Kg
Route of delivery:
Intravenous, Oral
Plasma half life:
2.02 h
Systemic clearance:
78.7 mL/min/kg
Cmax:
105 nM
Tmax:
0.0833 h
Area Under the Curve::
68.9 h*nM
Bioavailability:
15%
Volume of Distribution at Steady-State:
1.37 L/Kg
DOI Reference: 10.1021/acs.jmedchem.0c00259
Dose: 3 mg/Kg
Route of delivery:
Intravenous, Oral
Plasma half life:
1.54 h
Systemic clearance:
45.3 mL/min/Kg
Cmax:
464 nM
Tmax:
0.250 h
Area Under the Curve::
277 h*nM
Bioavailability:
11%
Volume of Distribution at Steady-State:
0.565 L/Kg
DOI Reference: 10.1021/acs.jmedchem.0c00259
Rat
Dose: 1 mg/Kg
Route of delivery:
Intravenous, Oral
Plasma half life:
0.77 h
Systemic clearance:
45 mL/min/kg
Cmax:
103 ± 40.8 nM
Tmax:
0.50 ± 0.00 h
Area Under the Curve::
103 h*nM
Bioavailability:
16 ± 6.5%
Volume of Distribution at Steady-State:
1.2 L/Kg
DOI Reference: 10.1021/acs.jmedchem.0c00259
Dog
Dose: 1 mg/Kg
Route of delivery:
Intravenous, Oral
Plasma half life:
4.0 h
Systemic clearance:
8.7 mL/min/kg
Cmax:
1708 nM
Tmax:
0.50 h
Area Under the Curve::
3230 h*nM
Bioavailability:
77%
Volume of Distribution at Steady-State:
0.57 L/Kg
DOI Reference: 10.1021/acs.jmedchem.0c00259
Monkey (Cynomolgus)
Dose: 1 mg/Kg
Route of delivery:
Intravenous, Oral
Plasma half life:
3.69 ± 0.18 h
Systemic clearance:
6.55 ± 1.62 mL/min/Kg
Cmax:
1570 ± 648 nM
Tmax:
0.83 ± 0.29 h
Area Under the Curve::
2060 ± 923 h*nM
Bioavailability:
35 ± 10%
Volume of Distribution at Steady-State:
0.150 ± 0.009 L/Kg
DOI Reference: 10.1021/acs.jmedchem.0c00259
Orthogonal Probes def
PF-05089771
Chemical Information
| Molecular Formula | C20H21ClFN5O3S |
| SMILEs | Cn1nccc1[C@H]1CCCC[C@@H]1Oc1cc(F)c(S(=O)(=O)Nc2ccncn2)cc1Cl |
| InChI | InChI=1S/C20H21ClFN5O3S/c1-27-16(6-9-25-27)13-4-2-3-5-17(13)30-18-11-15(22)19(10-14(18)21)31(28,29)26-20-7-8-23-12-24-20/h6-13,17H,2-5H2,1H3,(H,23,24,26)/t13-,17+/m1/s1 |
| Molecular weight | 465.10 Da |
| AlogP | 3.9086000000000025 |
| HBond acceptors | 8 |
| HBond donors | 1 |
| Atoms | 52 |
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