OAT-4828 |
OAT-4828 : Inhibitor of USP7
Probe Summary
Selectivity
Potency
In Vivo
Control Compounds
Chemical Information
References
Vendors
Download
Probe Summary
| Targets | Biochemical/Biophysical Potency | Cellular Potency |
|---|---|---|
| USP7 |
|
|
up to 1 uM
Selectivity
In Vitro Selectivity Assessment
Potency Assay Off-Target:
To identify potential off-target interactions, 45 was screened using the SafetyScreen87 panel.
Selectivity Assessment Description:
Compound 45 showed no receptors/enzymes/transporters inhibition or stimulation exceeding 50% at 10 μ ...
In Vitro Selectivity Assessment
Potency Assay Off-Target:
OAT-4828 emonstrated excellent specificity for USP7 in a DUB selectivity panel of 35 deubiquinating ...
Potency Cellular
In Vitro
USP7
Mode of Action: Inhibitor
Structure-Activity-Relationship data available? No
DOI Reference: 10.1021/acs.jmedchem.6c00407
In Vivo Validations
Mouse
Dose: 3 mg/mL
Route of delivery:
Intravenous
Plasma half life:
0.45 h
Systemic clearance:
37.8 mL/min/kg
Area Under the Curve::
1324 h*ng/mL
Volume of Distribution at Steady-State:
0.9 L/Kg
DOI Reference: 10.1021/acs.jmedchem.6c00407
Dose: 10 mg/Kg
Route of delivery:
Oral
Plasma half life:
0.92 h
Cmax:
172 ng/mL
Tmax:
0.5 h
Area Under the Curve::
516 h*ng/mL
Bioavailability:
12%
DOI Reference: 10.1021/acs.jmedchem.6c00407
Rat
Dose: 3 mg/Kg
Route of delivery:
Intravenous
Plasma half life:
5.0 h
Systemic clearance:
64.1 mL/min/Kg
Area Under the Curve::
792 h*ng/mL
Volume of Distribution at Steady-State:
12.7 L/Kg
DOI Reference: 10.1021/acs.jmedchem.6c00407
Dose: 10 mg/Kg
Route of delivery:
Oral
Plasma half life:
5.0 h
Cmax:
53.6 ng/mL
Tmax:
2 h
Area Under the Curve::
352 h*ng/mL
Bioavailability:
13 %
DOI Reference: 10.1021/acs.jmedchem.6c00407
Dog
Dose: 3 mg/Kg
Route of delivery:
Intravenous
Plasma half life:
4.4 h
Systemic clearance:
51.7 mL/min/Kg
Area Under the Curve::
979 h*ng/mL
Volume of Distribution at Steady-State:
12.7 L/Kg
DOI Reference: 10.1021/acs.jmedchem.6c00407
Dose: 10 mg/Kg
Route of delivery:
Oral
Plasma half life:
4.5h
Cmax:
526 ng/mL
Tmax:
2 h
Area Under the Curve::
3564 h*ng/mL
Bioavailability:
109%
DOI Reference: 10.1021/acs.jmedchem.6c00407
Chemical Information
| Molecular Formula | C28H28F3N5O3S |
| SMILEs | CN[C@H]1CCN(C(=O)c2c(C)cc(C(F)(F)F)nc2-c2ccnc3cc(CN4C(=O)C5C(C4=O)C5(C)C)sc23)C1 |
| InChI | InChI=1S/C28H28F3N5O3S/c1-13-9-18(28(29,30)31)34-22(19(13)24(37)35-8-6-14(11-35)32-4)16-5-7-33-17-10-15(40-23(16)17)12-36-25(38)20-21(26(36)39)27(20,2)3/h5,7,9-10,14,20-21,32H,6,8,11-12H2,1-4H3/t14-,20?,21?/m0/s1 |
| Molecular weight | 571.19 Da |
| AlogP | 4.260420000000003 |
| HBond acceptors | 8 |
| HBond donors | 1 |
| Atoms | 68 |