PF-03882845 |
PF-03882845 : Antagonist of NR3C2
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 |
|---|---|---|
| NR3C2 |
|
|
Antagonist
up to 100 nM
Selectivity
In Vitro Selectivity Assessment
Selectivity Assessment Description:
Selectivity factor of 115-fold for MR over PR (IC50=310 nM).
Tested for PR agonist activity and were ...
Potency Cellular
In Vitro
NR3C2
Mode of Action: Antagonist
Structure-Activity-Relationship data available? Yes
DOI Reference: 10.1021/jm100505n
In Vivo Validations
Rat
Dose: 2 mg/Kg
Route of delivery:
Intravenous
Plasma half life:
1.7 h
Systemic clearance:
9.8 (mL/min)/kg
Volume of Distribution at Steady-State:
1.4 mL/Kg
DOI Reference: 10.1021/jm100505n
Negative Control Compounds
3S,3aS-27c
Notes: MR IC50 3500 nM
SMILES:
O=C(O)C1=CC=C2C(CC[C@@]3([H])C2=NN(C4=CC=C(C#N)C(Cl)=C4)C3C5=CC=CC(F)=C5)=C1
Chemical Information
| Molecular Formula | C24H22ClN3O2 |
| SMILEs | N#Cc1ccc(N2N=C3c4ccc(C(=O)O)cc4CC[C@@H]3[C@@H]2C2CCCC2)cc1Cl |
| InChI | InChI=1S/C24H22ClN3O2/c25-21-12-18(8-5-17(21)13-26)28-23(14-3-1-2-4-14)20-10-6-15-11-16(24(29)30)7-9-19(15)22(20)27-28/h5,7-9,11-12,14,20,23H,1-4,6,10H2,(H,29,30)/t20-,23-/m0/s1 |
| Molecular weight | 419.14 Da |
| AlogP | 5.255380000000004 |
| HBond acceptors | 5 |
| HBond donors | 1 |
| Atoms | 52 |
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