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CRN04894 | CRN04894 : Antagonist of MC2R
RATINGS:
Cellular Use: (1 reviews)

In Model Organisms: (1 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
MC2R
  • Ki:2.1 nM
up to 100 nM

Selectivity

In Vitro Selectivity Assessment
Potency Assay Off-Target:
Selective against human MC1R MC3R MC4R MC5R with IC50s >10 uM

Potency
Cellular
In Vitro

MC2R

Mode of Action: Antagonist

Structure-Activity-Relationship data available? Yes

DOI Reference: 10.1021/acsmedchemlett.3c00514

In Vivo Validations

Rat
Dose: 5 mg/kg
Route of delivery: Intravenous
Systemic clearance: 1.47 L/h/kg
Volume of Distribution at Steady-State: 3.19 L/Kg

DOI Reference: 10.1021/acsmedchemlett.3c00514

Dose: 10 mg/Kg
Route of delivery: Oral
Plasma half life: 2.73 h
Cmax: 1217 nM
Area Under the Curve:: 5201 nM·h
Bioavailability: 47%

DOI Reference: 10.1021/acsmedchemlett.3c00514

Dog
Dose: 2.5 mg/Kg
Route of delivery: Intravenous
Systemic clearance: 0.85 L/h/kg
Volume of Distribution at Steady-State: 10.50 L/Kg

DOI Reference: 10.1021/acsmedchemlett.3c00514

Dose: 5 mg/Kg
Route of delivery: Oral
Plasma half life: 9.55 h
Cmax: 650 nM
Area Under the Curve:: 4971 nM·h
Bioavailability: 100%

DOI Reference: 10.1021/acsmedchemlett.3c00514

Chemical Information

Molecular Formula C33H42F3N5O3
SMILEs CCOc1ccccc1-c1ccc(N2CCN(C(=O)C3(C(F)(F)F)CCC3)C[C@H]2CC)c(C(=O)N[C@@H]2CN3CCC2CC3)n1
InChI InChI=1S/C33H42F3N5O3/c1-3-23-20-40(31(43)32(14-7-15-32)33(34,35)36)18-19-41(23)27-11-10-25(24-8-5-6-9-28(24)44-4-2)37-29(27)30(42)38-26-21-39-16-12-22(26)13-17-39/h5-6,8-11,22-23,26H,3-4,7,12-21H2,1-2H3,(H,38,42)/t23-,26-/m1/s1
Molecular weight 613.32 Da
AlogP 5.131100000000004
HBond acceptors 8
HBond donors 1
Atoms 86

Vendors

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Expert Reviews

by SERP
(on 13 Aug 2024)
Cellular Use Rating
In Model Organisms
...
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