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SPH3127 | SPH3127 : Inhibitor of REN
RATINGS:
Cellular Use: (1 reviews)

In Model Organisms: (2 reviews)
Probe Summary
Selectivity
Potency
In Vivo
Control Compounds
Chemical Information
References
Vendors
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Probe Summary

Targets Biochemical/Biophysical Potency Cellular Potency
REN
  • IC50:0.4 nM
  • IC50:0.45 nM
Inhibitor
extracellular protein

Selectivity

Potency
Cellular
In Vitro

REN

Mode of Action: Inhibitor

Structure-Activity-Relationship data available? No

DOI Reference: 10.1021/acs.jmedchem.2c00834

In Vivo Validations

Rat
Dose: 3 mg/Kg
Route of delivery: Oral
Area Under the Curve:: 124 ng*h/mL
Bioavailability: 24%

DOI Reference: 10.1021/acs.jmedchem.2c00834

Dose: 3 mg/Kg
Route of delivery: Intravenous
Systemic clearance: 5692 mL/h/kg
Area Under the Curve:: 528 ng*h/mL

DOI Reference: 10.1021/acs.jmedchem.2c00834

Monkey (Cynomolgus)
Dose: 3 mg/Kg
Route of delivery: Oral
Area Under the Curve:: 260 ng*h/mL
Bioavailability: 16%

DOI Reference: 10.1021/acs.jmedchem.2c00834

Dose: 3 mg/Kg
Route of delivery: Intravenous
Systemic clearance: 1749 mL/h/kg
Area Under the Curve:: 1725 ng*h/mL

DOI Reference: 10.1021/acs.jmedchem.2c00834

Negative Control Compounds

cpd 10
Notes: IC50 159 nM against rh-renin and 661 nM in the hPRA (plasma assay)
SMILES: COCCCn1cc(CN(C2CC2)C(=O)[C@H]3CNCCO3)c4cccnc14

Chemical Information

Molecular Formula C22H32N6O4
SMILEs COC(=O)NCCCn1nc([C@@H](C)N(C(=O)[C@H]2CNCCO2)C2CC2)c2ccc(C)nc21
InChI InChI=1S/C22H32N6O4/c1-14-5-8-17-19(26-27(20(17)25-14)11-4-9-24-22(30)31-3)15(2)28(16-6-7-16)21(29)18-13-23-10-12-32-18/h5,8,15-16,18,23H,4,6-7,9-13H2,1-3H3,(H,24,30)/t15-,18-/m1/s1
Molecular weight 444.25 Da
AlogP 0.0
HBond acceptors 10
HBond donors 2
Atoms 64

References

Publications

Cross References

canSARChEMBLBindingDB

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Expert Reviews

by SERP
(on 4 Nov 2022 )
In Model Organisms
SPH3127 appears to be a very potent DRI with much improved PK properties compared to the authors earlier compounds. Further, this probe shows similar IC50 values in both the re-renin (recombinant enzyme)...
by SERP
(on 17 Nov 2022 )
Cellular Use Rating
In Model Organisms
( The reviewer did not leave any comments )
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