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BAY 2413555 | BAY 2413555 : Positive allosteric modulator of CHRM2
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
CHRM2
  • Kd:17 nM
  • Ki:7.6 ± 4 nM
  • EC50:2 nM
Positive allosteric
300 nM

Selectivity

In Vitro Selectivity Assessment
Potency Assay Off-Target:
Within target family: Potential allosteric agonism of compound BAY 2413555 both on the human M2 rece ...

Potency
Cellular
In Vitro

CHRM2

Mode of Action: Positive allosteric

Structure-Activity-Relationship data available? Yes

DOI Reference: 10.1021/acs.jmedchem.4c01590

In Vivo Validations

Rat
Dose: 0.3 mg/kg
Route of delivery: Intravenous
Plasma half life: 4.9 h
Systemic clearance: 0.35 L/(h·kg)
Volume of Distribution at Steady-State: 2.5 L/kg

DOI Reference: 10.1021/acs.jmedchem.4c01590

Dose: 1.0 mg/kg
Route of delivery: Oral
Plasma half life: 6.5 h
Tmax: 4.0 h
Bioavailability: 96%

DOI Reference: 10.1021/acs.jmedchem.4c01590

Dog
Dose: 0.3 mg/kg
Route of delivery: Intravenous
Plasma half life: 9.9 h
Systemic clearance: 0.23 L/(h·kg)
Volume of Distribution at Steady-State: 2.3 L/Kg

DOI Reference: 10.1021/acs.jmedchem.4c01590

Dose: 1.0 mg/kg
Route of delivery: Oral
Plasma half life: 11.0 h
Bioavailability: 55%

DOI Reference: 10.1021/acs.jmedchem.4c01590

Monkey (Cynomolgus)
Dose: 0.3 mg/kg
Route of delivery: Intravenous
Plasma half life: 12 h
Systemic clearance: 0.09 L/(h·kg)
Volume of Distribution at Steady-State: 1.6 L/Kg

DOI Reference: 10.1021/acs.jmedchem.4c01590

Dose: 1 mg/Kg
Route of delivery: Oral
Plasma half life: 14.0 h
Bioavailability: 80%

DOI Reference: 10.1021/acs.jmedchem.4c01590

Chemical Information

Molecular Formula C23H17F9N4O4
SMILEs C[C@H](NC(=O)c1cn(-c2c(F)cc(F)cc2F)c2nc(N3C[C@@H](O)[C@H](O)C3)c(F)cc2c1=O)C(F)(F)C(F)(F)F
InChI InChI=1S/C23H17F9N4O4/c1-8(22(28,29)23(30,31)32)33-21(40)11-5-36(17-12(25)2-9(24)3-13(17)26)19-10(18(11)39)4-14(27)20(34-19)35-6-15(37)16(38)7-35/h2-5,8,15-16,37-38H,6-7H2,1H3,(H,33,40)/t8-,15+,16+/m0/s1
Molecular weight 584.11 Da
AlogP 2.799800000000001
HBond acceptors 8
HBond donors 3
Atoms 57

Vendors

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Expert Reviews

by SERP
(on 13 Dec 2024 )
Cellular Use Rating
In Model Organisms
BAY-2413555 is a high quality positive allosteric modulator of CHRM2 that can be used in vitro and in vivo with confidence. Based on the rat telemetry study in the J Med Chem paper, I suggest 3-10 mg/kg...
by SERP
(on 26 Jan 2025 )
Cellular Use Rating
In Model Organisms
Toxicity in monkeys (increased vascular inflammation) was observed. [PMID: 39738130; PMCID: PMC11685975; DOI: 10.1038/s41598-024-77111-4]
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