MDI-114215 |
MDI-114215 : Inhibitor of LIMK1, LIMK2
Probe Summary
Selectivity
Potency
In Vivo
Control Compounds
Chemical Information
References
Vendors
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Probe Summary
| Targets | Biochemical/Biophysical Potency | Cellular Potency |
|---|---|---|
| LIMK1 |
|
|
| LIMK2 |
|
|
Inhibitor
up to 300 nM
Selectivity
In Vitro Selectivity Assessment
Potency Assay Off-Target:
Wider kinome profiling was performed on MDI-114215 using the Eurofins/DiscoverX scanMAX panel of 468 ...
In Vitro Selectivity Assessment
Potency Assay Off-Target:
Off-target pharmacological activity in a panel of receptors, ion channels, transporters and enzymes ...
Potency Cellular
In Vitro
LIMK1
Mode of Action: Inhibitor
Structure-Activity-Relationship data available? Yes
DOI Reference: 10.1021/acs.jmedchem.4c02694
LIMK2
Mode of Action: Inhibitor
Structure-Activity-Relationship data available? Yes
DOI Reference: 10.1021/acs.jmedchem.4c02694
In Vivo Validations
Mouse
Dose: 0.2 mg/Kg
Route of delivery:
Intravenous
Plasma half life:
0.6 h
Systemic clearance:
33.1 mL/min/kg
Area Under the Curve::
101 h ng/mL
Volume of Distribution at Steady-State:
1.3 L/Kg
DOI Reference: 10.1021/acs.jmedchem.4c02694
Dose: 30 mg/Kg
Route of delivery:
Intraperitoneal
Cmax:
1385 ng/mL
Tmax:
0.4 h
Bioavailability:
52%
DOI Reference: 10.1021/acs.jmedchem.4c02694
Chemical Information
| Molecular Formula | C26H29N3O4S |
| SMILEs | O=C(c1ccc(S(=O)(=O)Nc2ccccc2)cc1)N(Cc1ccc(NCCO)cc1)CC1CC1 |
| InChI | InChI=1S/C26H29N3O4S/c30-17-16-27-23-12-8-21(9-13-23)19-29(18-20-6-7-20)26(31)22-10-14-25(15-11-22)34(32,33)28-24-4-2-1-3-5-24/h1-5,8-15,20,27-28,30H,6-7,16-19H2 |
| Molecular weight | 479.19 Da |
| AlogP | 3.9440000000000026 |
| HBond acceptors | 7 |
| HBond donors | 3 |
| Atoms | 63 |