BATEFENTEROL |
BATEFENTEROL : Antagonist of CHRM2, CHRM3, ADRB2
Probe Summary
Selectivity
Potency
In Vivo
Control Compounds
Chemical Information
References
Vendors
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Probe Summary
| Targets | Biochemical/Biophysical Potency | Cellular Potency |
|---|---|---|
| CHRM2 |
| |
| CHRM3 |
| |
| ADRB2 |
|
|
Antagonist
up to 100 nM
Selectivity
In Vitro Selectivity Assessment
Selectivity Assessment Description:
GSK-961081 was tested in binding assays against 83 cellular targets including receptors, transporter ...
In Cell Selectivity Assessment
Selectivity Assessment Description:
GSK-961081 displayed approximately 120- and 300-fold selectivity for hβ2- over hβ1- and hβ3-adrenoce ...
Potency Cellular
In Vitro
CHRM2
Mode of Action: Antagonist
Structure-Activity-Relationship data available? Yes
DOI Reference: 10.1021/jm501915g
CHRM3
Mode of Action: Antagonist
Structure-Activity-Relationship data available? Yes
DOI Reference: 10.1021/jm501915g
ADRB2
Mode of Action: Antagonist
Structure-Activity-Relationship data available? Yes
DOI Reference: 10.1021/jm501915g
In Vivo Validations
Rat
Dose: 0.25 mg/Kg
Route of delivery:
Intravenous
Plasma half life:
0.18 h
Systemic clearance:
4.52 L/h/Kg
Volume of Distribution at Steady-State:
0.32 L/Kg
DOI Reference: 10.1021/jm501915g
Chemical Information
| Molecular Formula | C40H42ClN5O7 |
| SMILEs | COc1cc(NC(=O)CCN2CCC(OC(=O)Nc3ccccc3-c3ccccc3)CC2)c(Cl)cc1CNC[C@H](O)c1ccc(O)c2[nH]c(=O)ccc12 |
| InChI | InChI=1S/C40H42ClN5O7/c1-52-36-22-33(31(41)21-26(36)23-42-24-35(48)29-11-13-34(47)39-30(29)12-14-37(49)45-39)43-38(50)17-20-46-18-15-27(16-19-46)53-40(51)44-32-10-6-5-9-28(32)25-7-3-2-4-8-25/h2-14,21-22,27,35,42,47-48H,15-20,23-24H2,1H3,(H,43,50)(H,44,51)(H,45,49)/t35-/m0/s1 |
| Molecular weight | 739.28 Da |
| AlogP | 6.4276 |
| HBond acceptors | 12 |
| HBond donors | 6 |
| Atoms | 95 |
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