Nidufexor |
Partial Agonist of NR1H4
Probe Summary
Selectivity
Potency
In Vivo
Control Compounds
Chemical Information
References
Vendors
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Probe Summary
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| Targets | Biochemical/Biophysical Potency | Cellular Potency |
|---|---|---|
| NR1H4 |
|
|
Partial Agonist
up to 1 uM
Selectivity
In Cell Selectivity Assessment
Selectivity Assessment Description:
Profiling across a panel of enzymes, ion channels, nuclear receptors, and GPCRs demonstrated the ...
Potency Cellular
In Vitro
NR1H4
Mode of Action: Partial Agonist
Structure-Activity-Relationship data available? Yes
DOI Reference: 10.1021/acs.jmedchem.9b01621
In Vivo Validations
Mouse, Rat, Dog
Dose: IV: 3 mg/Kg PO: 10 mg/kg (M) IV: 5 mg/kg / PO: 10 mg/kg (R), IV: 0.5 mg/kg / PO: 2 mg/kg (D)
Route of delivery:
Intravenous, Oral
Plasma half life:
4.5 (M), 4.4 (R), 6.8 (D)
Systemic clearance:
9.8 (M), 5.6 (R), 3.6 (D) mL/min/kg
Cmax:
12.4 µM (R) PO 10 mg/kg
Area Under the Curve::
25.4 h.uM (R) PO: 10 mg/kg
Bioavailability:
115 (M), 52 (R), 80 (D) %
Volume of Distribution at Steady-State:
0.9 (M), 0.6 (R), 1.1 (D) L/Kg
Organ of interest (O):
liver
Target engagement assay:
Rat Dose Escalation PK, PO:
Dose (mg/kg): 3, 10, 30, 100, 300
AUC, po (h·μM): 9.2, 25.4, 76.5, 398.7, 1040.2
Cmax, po (μM): 4.5, 12.4, 28.1, 80.9, 140.8
T1/2 (h), po 3.9 5.7 6.3 5.6 6.3
F(%) 63 52 52 82 72
AUC/Dose 3058 2540 2548 3987 3467
DOI Reference: 10.1021/acs.jmedchem.9b01621
Orthogonal Probes def
GW4064
Chemical Information
| Molecular Formula | C27H22ClN3O4 |
| SMILEs | Cn1nc(C(=O)N(Cc2ccccc2)Cc2ccc(C(=O)O)cc2)c2c1-c1cc(Cl)ccc1OC2 |
| InChI | InChI=1S/C27H22ClN3O4/c1-30-25-21-13-20(28)11-12-23(21)35-16-22(25)24(29-30)26(32)31(14-17-5-3-2-4-6-17)15-18-7-9-19(10-8-18)27(33)34/h2-13H,14-16H2,1H3,(H,33,34) |
| Molecular weight | 487.13 Da |
| AlogP | 5.1737 |
| HBond acceptors | 7 |
| HBond donors | 1 |
| Atoms | 57 |
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