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UCSF7447 | UCSF7447 : Inverse Agonist of MTNR1A
RATINGS:
Cellular Use: (2 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
MTNR1A
  • Ki:7.5 nM
  • EC50:41 nM
Inverse Agonist
Up to 1 uM

Selectivity

In Vitro Selectivity Assessment
Selectivity Assessment Description:
Screened for radioligand binding modulation of CNS GPCRs and toxic pharmacological off-targets at 10 ...
In Cell Selectivity Assessment
Selectivity Assessment Description:
Counter-screened against MTNR1B and was 53-fold selective for MTNR1A. Also screened against a panel ...

Potency
Cellular
In Vitro

MTNR1A

Mode of Action: Inverse Agonist

Structure-Activity-Relationship data available? No

DOI Reference: 10.1038/s41586-020-2027-0

In Vivo Validations

Mouse
Dose: 30 ug
Route of delivery: Subcutaneous
Plasma half life: 0.27 to 0.32 h
Organ of interest (O): Brain

DOI Reference: 10.1038/s41586-020-2027-0

Negative Control Compounds

ZINC37781618

Chemical Information

Molecular Formula C15H12BrClN4
SMILEs Clc1ccc(CNc2cccc(-c3ncn[nH]3)c2)c(Br)c1
InChI InChI=1S/C15H12BrClN4/c16-14-7-12(17)5-4-11(14)8-18-13-3-1-2-10(6-13)15-19-9-20-21-15/h1-7,9,18H,8H2,(H,19,20,21)
Molecular weight 361.99 Da
AlogP 4.499700000000001
HBond acceptors 4
HBond donors 2
Atoms 33

References

Publications

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Expert Reviews

by SERP
(on 19 May 2020 )
Cellular Use Rating
In Model Organisms
ZINC555417447 is a brain penetrant, inverse agonist (partial 62% Emax) of the Melatonin MT1 receptor, with good selectivity over the related MT2 receptor (53-fold selective in human and 158-fold in...
by SERP
(on 30 Jul 2021 )
Cellular Use Rating
In Model Organisms
Thorough characterization has been performed by trustworthy scientists; an inactive analog (ZINC37781618) and an analogous, active probe for the related MT2 receptor (ZINC128734226) were characterized...
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