BAY-899 |
BAY-899 : Allosteric Antagonist of LHCGR
Probe Summary
Selectivity
Potency
In Vivo
Control Compounds
Chemical Information
References
Vendors
Download
Probe Summary
| Targets | Biochemical/Biophysical Potency | Cellular Potency |
|---|---|---|
| LHCGR |
|
Allosteric
1 uM
Selectivity
In Vitro Selectivity Assessment
Selectivity Assessment Description:
No activity on FSHR, TSHR. (hTSH antagonism IC50 = 24 µM; hFSH antagonism IC50 > 16 µM)
Clean in com ...
Potency Cellular
In Vitro
LHCGR
Mode of Action: Allosteric
Structure-Activity-Relationship data available? Yes
DOI Reference: 10.1021/acs.jmedchem.9b01382
In Vivo Validations
Rat
Dose: 2 mg/Kg
Route of delivery:
Oral
Plasma half life:
12 h
Cmax:
0.24 Kg/L
Tmax:
24 h
Area Under the Curve::
7.8 Kg*h/L
Bioavailability:
83 %
DOI Reference: 10.1021/acs.jmedchem.9b01382
Dose: 0.5 mg/Kg
Route of delivery:
Intravenous
Plasma half life:
11 h
Systemic clearance:
0.11 L/h/Kg
Cmax:
0.97 Kg/L
Tmax:
0.0 h
Area Under the Curve::
9.4 kg*h/L
Volume of Distribution at Steady-State:
1.8 L/Kg
DOI Reference: 10.1021/acs.jmedchem.9b01382
Negative Control Compounds
BAY-897
Notes: BAY-897 is inactive on human LHCGR (IC50 > 16 µM) and FSHR (IC50 > 16 µM). Closest hits in the GPCR scan are TMEM97 (Ki = 675.62 nM) and HTR2C (Ki = 1082.93 nM).
Chemical Information
| Molecular Formula | C25H19F2N5O2 |
| SMILEs | O=C(Nc1cnc(Oc2ccc(F)cc2)nc1)N1CCc2ncccc2[C@@H]1c1ccc(F)cc1 |
| InChI | InChI=1S/C25H19F2N5O2/c26-17-5-3-16(4-6-17)23-21-2-1-12-28-22(21)11-13-32(23)25(33)31-19-14-29-24(30-15-19)34-20-9-7-18(27)8-10-20/h1-10,12,14-15,23H,11,13H2,(H,31,33)/t23-/m0/s1 |
| Molecular weight | 459.15 Da |
| AlogP | 5.121700000000003 |
| HBond acceptors | 7 |
| HBond donors | 1 |
| Atoms | 53 |
References
Publications
Vendors
Note: This is not an exhaustive list and does not indicate endorsement by the portal.