CRN04894 |
CRN04894 : Antagonist of MC2R
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 |
|
Antagonist
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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