MSD-M1PAM |
Positive allosteric modulator of CHRM1
Probe Summary
Selectivity
Potency
In Vivo
Control Compounds
Chemical Information
References
Vendors
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Probe Summary
| Targets | Biochemical/Biophysical Potency | Cellular Potency |
|---|---|---|
| CHRM1 |
Positive allosteric
< 1uM
Selectivity
In Vitro Selectivity Assessment
Potency Assay Off-Target:
> 700-fold selectivity over CHRM2, CHRM3, CHRM4
Clean GPCR scan
Selectivity Assessment Description:
Closest off-targets (Panlabs): PTPN2: IC50 = 10 µM @ 10 µM;
Potency Cellular
In Vitro
CHRM1
Mode of Action: Positive allosteric
Structure-Activity-Relationship data available? Yes
DOI Reference: 10.1021/ml300280g
In Vivo Validations
Rat
Dose: 2.5 mg/Kg
Route of delivery:
Oral
Plasma half life:
3.9 h
Cmax:
151 nM
Area Under the Curve::
714 nM*h
Bioavailability:
39 %
DOI Reference: 10.1124/jpet.115.226910
Dose: 1 mg/Kg
Route of delivery:
Intravenous
Plasma half life:
4.0 h
Systemic clearance:
59 ml/min/Kg
Cmax:
1602 nM
Area Under the Curve::
727 nM*h
Bioavailability:
86 %
Volume of Distribution at Steady-State:
6.1 L/Kg
DOI Reference: 10.1124/jpet.115.226910
Dog
Dose: 1.5 mg/Kg
Route of delivery:
Intravenous
Plasma half life:
5.0 h
Systemic clearance:
17 ml/min/Kg
Cmax:
5240 nM
Area Under the Curve::
3844 nM*h
Volume of Distribution at Steady-State:
3.6 L/Kg
DOI Reference: 10.1124/jpet.115.226910
Negative Control Compounds
Chemical Information
| Molecular Formula | C22H20N4O3 |
| SMILEs | N#CC1(c2ccccn2)CCN(Cc2cc(C(=O)O)c(=O)n3ccccc23)CC1 |
| InChI | InChI=1S/C22H20N4O3/c23-15-22(19-6-1-3-9-24-19)7-11-25(12-8-22)14-16-13-17(21(28)29)20(27)26-10-4-2-5-18(16)26/h1-6,9-10,13H,7-8,11-12,14H2,(H,28,29) |
| Molecular weight | 388.15 Da |
| AlogP | 2.4500800000000007 |
| HBond acceptors | 7 |
| HBond donors | 1 |
| Atoms | 49 |
References
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