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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...
Note: The Chemical Probes Portal only endorses compounds as chemical probes for use as specific and selective modulators of the proposed target if they receive three or more (3-4) stars. Read more about our evaluation criteria