JNJ-39758979 |
Orthosteric of HRH4
Probe Summary
Selectivity
Potency
In Vivo
Control Compounds
Chemical Information
References
Vendors
Download
Probe Summary
| Targets | Biochemical/Biophysical Potency | Cellular Potency |
|---|---|---|
| HRH4 |
|
Orthosteric
up to 10 µM
Selectivity
In Vitro Selectivity Assessment
Potency Assay Off-Target:
Selectivity within target family:
Binding assay: >50-fold selectivity vs. HRH3 (Ki 1023 nM), HRH2 ( ...
Potency Cellular
In Vitro
HRH4
Mode of Action: Orthosteric
Structure-Activity-Relationship data available? Yes
DOI Reference: 10.1021/jm401727m
In Vivo Validations
Rat
Dose: 2 mg/Kg
Route of delivery:
Intravenous
Plasma half life:
2.1 h
Systemic clearance:
5.5 L/h/Kg
Cmax:
1.1 uM
Area Under the Curve::
1.4 uM*h
Volume of Distribution at Steady-State:
19.9 L/Kg
DOI Reference: 10.1021/jm401727m
Dose: 10 mg/Kg
Route of delivery:
Oral
Plasma half life:
5.7 h
Cmax:
0.3 uM
Tmax:
2.4 h
Area Under the Curve::
2.43 h*uM
Bioavailability:
38%
DOI Reference: 10.1021/jm401727m
Mouse
Dose: 2 mg/Kg
Route of delivery:
Intravenous
Plasma half life:
7.8 h
Systemic clearance:
2.4 L/h/Kg
Cmax:
1.02 uM
Area Under the Curve::
3.27 h*uM
Volume of Distribution at Steady-State:
31/0 L/Kg
DOI Reference: 10.1021/jm401727m
Dose: 5 mg/Kg
Route of delivery:
Oral
Plasma half life:
4.7 h
Cmax:
0.79 uM
Tmax:
2 h
Area Under the Curve::
9.69 h*uM
Bioavailability:
84%
DOI Reference: 10.1021/jm401727m
Dog
Dose: 2 mg/Kg
Route of delivery:
Intravenous
Plasma half life:
10.2 h
Systemic clearance:
1.4 L/h/Kg
Cmax:
4.22 uM
Area Under the Curve::
6.7 h*uM
Volume of Distribution at Steady-State:
19.9 L/Kg
DOI Reference: 10.1021/jm401727m
Dose: 10 mg/Kg
Route of delivery:
Oral
Plasma half life:
11.2 h
Cmax:
0.6 uM
Tmax:
0.8 h
Area Under the Curve::
8.2 h*uM
Bioavailability:
95%
DOI Reference: 10.1021/jm401727m
Negative Control Compounds
JNJ-39668551
Notes: Human HRH4: Ki > 10 µM, pA2 < 4, HRH3 (Ki > 10 µM)
SMILES:
CN[C@@H]1CCN(C1)c1cc(C(F)(F)F)nc(N)n1
Chemical Information
| Molecular Formula | C11H19N5 |
| SMILEs | CC(C)c1cc(N2CC[C@@H](N)C2)nc(N)n1 |
| InChI | InChI=1S/C11H19N5/c1-7(2)9-5-10(15-11(13)14-9)16-4-3-8(12)6-16/h5,7-8H,3-4,6,12H2,1-2H3,(H2,13,14,15)/t8-/m1/s1 |
| Molecular weight | 221.16 Da |
| AlogP | 0.7196 |
| HBond acceptors | 5 |
| HBond donors | 4 |
| Atoms | 35 |