TP-060 |
TP-060 : Allosteric inhibitor of UGCG
Probe Summary
Selectivity
Potency
In Vivo
Control Compounds
Chemical Information
References
Vendors
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Probe Summary
| Targets | Biochemical/Biophysical Potency | Cellular Potency |
|---|---|---|
| UGCG |
|
|
Allosteric
up to 1 uM
Selectivity
In Vitro Selectivity Assessment
Potency Assay Off-Target:
In house kinase panel (342 kinases at 1 µM): clean
SAFETYscan (DiscoverX (Eurofins) 47 targets at 10 ...
Potency Cellular
In Vitro
UGCG
Mode of Action: Allosteric
Structure-Activity-Relationship data available? Yes
DOI Reference: 10.1021/acs.jmedchem.1c02078
In Vivo Validations
Mouse
Dose: 0.5 mg/Kg
Route of delivery:
Intravenous
Plasma half life:
3.44 h MRT
Systemic clearance:
314 mL/(h kg)
Volume of Distribution at Steady-State:
1082 L/Kg
DOI Reference: 10.1021/acs.jmedchem.1c02078
Dose: 5 mg/Kg
Route of delivery:
Oral
Plasma half life:
7.14 h MRT
Cmax:
1179 ng/mL
Area Under the Curve::
10736 ng h/mL
Bioavailability:
67%
DOI Reference: 10.1021/acs.jmedchem.1c02078
Negative Control Compounds
CANSAR3897548
Notes: TP-060n: IC50 > 100 µM (GCS enzymatic assay); EC50 > 10 µM (cellular GlcCer reduction)
Chemical Information
| Molecular Formula | C24H20F4N2O3 |
| SMILEs | CC(C)(O)c1ccc(N2Cc3c(ccnc3-c3ccc(F)cc3OCC(F)(F)F)C2=O)cc1 |
| InChI | InChI=1S/C24H20F4N2O3/c1-23(2,32)14-3-6-16(7-4-14)30-12-19-17(22(30)31)9-10-29-21(19)18-8-5-15(25)11-20(18)33-13-24(26,27)28/h3-11,32H,12-13H2,1-2H3 |
| Molecular weight | 460.14 Da |
| AlogP | 0.0 |
| HBond acceptors | 5 |
| HBond donors | 1 |
| Atoms | 53 |