HTL-0041178 |
HTL-0041178 : Agonist of GPR52
Probe Summary
Selectivity
Potency
In Vivo
Control Compounds
Chemical Information
References
Vendors
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Probe Summary
| Targets | Biochemical/Biophysical Potency | Cellular Potency |
|---|---|---|
| GPR52 |
|
Agonist
up to 5 uM
Selectivity
In Vitro Selectivity Assessment
Potency Assay Off-Target:
HTL0041178 shows low cardiovascular toxicity risk (hERG and hNaV1.5 IC50 > 10 μM), no significant of ...
Potency Cellular
In Vitro
GPR52
Mode of Action: Agonist
Structure-Activity-Relationship data available? No
DOI Reference: 10.1021/acsmedchemlett.3c00052
In Vivo Validations
Rat
Dose: 1 mg/Kg
Route of delivery:
Intravenous
Plasma half life:
0.8 h
Systemic clearance:
16 mL/min/Kg
Area Under the Curve::
1021 h·ng/mL
Fb :
0.910
Volume of Distribution at Steady-State:
1.0 L/Kg
DOI Reference: 10.1021/acsmedchemlett.3c00052
Dose: 3 mg/Kg
Route of delivery:
Oral
Cmax:
285 ng/mL
Area Under the Curve::
1259 h·ng/mL
Bioavailability:
40% (52% abs)
DOI Reference: 10.1021/acsmedchemlett.3c00052
Mouse
Dose: 1 mg/Kg
Route of delivery:
Intravenous
Plasma half life:
3.4 h
Systemic clearance:
6 mL/min/Kg
Area Under the Curve::
2609 h·ng/mL
Fb :
0.947
Volume of Distribution at Steady-State:
1.5 L/Kg
DOI Reference: 10.1021/acsmedchemlett.3c00052
Dose: 3 mg/Kg
Route of delivery:
Oral
Cmax:
486 ng/mL
Area Under the Curve::
5914 h·ng/mL
Bioavailability:
95% (80% abs)
DOI Reference: 10.1021/acsmedchemlett.3c00052
Monkey (Cynomolgus)
Dose: 1 mg/Kg
Route of delivery:
Intravenous
Plasma half life:
8 h
Systemic clearance:
2 mL/min/Kg
Area Under the Curve::
8754 h·ng/mL
Fb :
0.897
Volume of Distribution at Steady-State:
1.4 L/Kg
DOI Reference: 10.1021/acsmedchemlett.3c00052
Dose: 3 mg/Kg
Route of delivery:
Oral
Cmax:
581 ng/mL
Area Under the Curve::
6327 h·ng/mL
Bioavailability:
81% (85% abs)
DOI Reference: 10.1021/acsmedchemlett.3c00052
Chemical Information
| Molecular Formula | C19H14F4N4O |
| InChI | InChI=1S/C19H14F4N4O/c20-13-6-11(5-12(8-13)19(21,22)23)7-14-9-15(1-3-24-14)27-17-2-4-25-18(28)16(17)10-26-27/h1,3,5-6,8-10H,2,4,7H2,(H,25,28) |
| Molecular weight | 390.11 Da |
| AlogP | 0.0 |
| HBond acceptors | 5 |
| HBond donors | 1 |
| Atoms | 42 |