BAY 2686013 |
BAY 2686013 : Allosteric Antagonist of ADCYAP1R1
Probe Summary
Selectivity
Potency
In Vivo
Control Compounds
Chemical Information
References
Vendors
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Probe Summary
| Targets | Biochemical/Biophysical Potency | Cellular Potency |
|---|---|---|
| ADCYAP1R1 |
|
Allosteric
up to 1 µM
up to 5 uM
Selectivity
In Vitro Selectivity Assessment
Potency Assay Off-Target:
BAY2686013 was subjected to comprehensive functional GPCR profiling (Eurofins; “Bayer-Panel”). Compo ...
Potency Cellular
In Vitro
ADCYAP1R1
Mode of Action: Allosteric
Structure-Activity-Relationship data available? Yes
DOI Reference: 10.1124/molpharm.122.000662
In Vivo Validations
Rat
Dose: 1.0 mg/Kg
Route of delivery:
Intravenous
Plasma half life:
0.9 h
Systemic clearance:
6.7 L/h/Kg
Area Under the Curve::
143.0 ug*h/L
Fb :
99.65%
Volume of Distribution at Steady-State:
7.7 L/Kg
Reference: --
Dose: 5.0 mg/Kg
Route of delivery:
Oral
Plasma half life:
2.4 h
Tmax:
2.0 h
Area Under the Curve::
225.0 ug*h/L
Bioavailability:
32%
Reference: --
Chemical Information
| Molecular Formula | C17H14F6N2O2 |
| SMILEs | NCC(=O)Nc1ccc(OCc2cc(C(F)(F)F)cc(C(F)(F)F)c2)cc1 |
| InChI | InChI=1S/C17H14F6N2O2/c18-16(19,20)11-5-10(6-12(7-11)17(21,22)23)9-27-14-3-1-13(2-4-14)25-15(26)8-24/h1-7H,8-9,24H2,(H,25,26) |
| Molecular weight | 392.10 Da |
| AlogP | 4.200400000000002 |
| HBond acceptors | 4 |
| HBond donors | 3 |
| Atoms | 41 |