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UCSF4226 | Agonist of MTNR1B
RATINGS:
Cellular Use: (3 reviews)

In Model Organisms: (3 reviews)
Probe Summary
Selectivity
Potency
In Vivo
Control Compounds
Chemical Information
References
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Probe Summary

Targets Biochemical/Biophysical Potency Cellular Potency
MTNR1B
  • Ki:63 nM
  • EC50:7.1 nM
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 MTNR1A and was >54-fold selective for MTNR1B. Also screened against a panel ...

Potency
Cellular
In Vitro

MTNR1B

Mode of Action: 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

ZINC1848444290

Chemical Information

Molecular Formula C13H13BrN2O
SMILEs COc1ccc(Br)c(CNc2cccnc2)c1
InChI InChI=1S/C13H13BrN2O/c1-17-12-4-5-13(14)10(7-12)8-16-11-3-2-6-15-9-11/h2-7,9,16H,8H2,1H3
Molecular weight 292.02 Da
AlogP 3.464800000000001
HBond acceptors 3
HBond donors 1
Atoms 30

References

Publications

Cross References

Expert Reviews

by SERP
(on 2 Jun 2020)
Cellular Use Rating
In Model Organisms
Outstanding characterisation of this probe. I recommend its use in animals and in cells to selectively modulate MT activity.
by SERP
(on 7 Jun 2020)
Cellular Use Rating
In Model Organisms
This is clearly a good probe candidate but from a single publication so far. The two melatonic receptor human paralogues are well studied pharmacologically so additional compounds and controls are also...
by SERP
(on 24 Sept 2020)
Cellular Use Rating
In Model Organisms
UCSF4226 is a high affinity brain-penetrant inverse agonist of melatonin receptor MTNR1B (MT2). Sufficient selectivity against GPCR target family and common off-targets has been demonstrated. Cellular...
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