BAY-405 |
BAY-405 : ATP competitive inhibitor of MAP4K
Probe Summary
Selectivity
Potency
In Vivo
Control Compounds
Chemical Information
References
Vendors
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Probe Summary
| Targets | Biochemical/Biophysical Potency | Cellular Potency |
|---|---|---|
| MAP4K1 |
|
|
ATP competitive
up to 5 uM
Selectivity
In Vitro Selectivity Assessment
Potency Assay Off-Target:
Possesses a ROCK2 selectivity ratio of 130 in the biochemical assay and an overall selectivity score ...
In Cell Selectivity Assessment
Potency Assay Off-Target:
The binding of BAY-405 with submicromolar Kd was confirmed in a cell lysate proteomics-based kinase ...
Potency Cellular
In Vitro
MAP4K1
Mode of Action: ATP competitive
Structure-Activity-Relationship data available? Yes
DOI Reference: 10.1021/acs.jmedchem.4c01325
In Vivo Validations
Mouse
Dose: 1 mg/Kg
Route of delivery:
Intravenous
Plasma half life:
4.0 h
Systemic clearance:
2.0 L/h/Kg
Area Under the Curve::
0.51 Kg*h/L
Volume of Distribution at Steady-State:
6.9 L/Kg
DOI Reference: 10.1021/acs.jmedchem.4c01325
Rat
Dose: 1 mg/Kg
Route of delivery:
Intravenous
Plasma half life:
3.8 h
Systemic clearance:
1.5 L/h/Kg
Volume of Distribution at Steady-State:
7.0 L/Kg
DOI Reference: 10.1021/acs.jmedchem.4c01325
Dose: 0.6 mg/Kg, 1 mg/Kg
Route of delivery:
Oral
Bioavailability:
16% at 0.6 mg/Kg, 38% at 1 mg/Kg
DOI Reference: 10.1021/acs.jmedchem.4c01325
Dog
Dose: 1 mg/Kg
Route of delivery:
Intravenous
Plasma half life:
3.3 h
Systemic clearance:
1.3 L/h/Kg
Volume of Distribution at Steady-State:
3.0 L/Kg
DOI Reference: 10.1021/acs.jmedchem.4c01325
Dose: 1 mg/Kg
Route of delivery:
Oral
Bioavailability:
9%
DOI Reference: 10.1021/acs.jmedchem.4c01325
Chemical Information
| Molecular Formula | C25H23F5N4O3 |
| SMILEs | Fc1cc(NC2=NCC3(CCOCC3)CO2)cc(F)c1Oc1ccnc2[nH]cc(C3(C(F)(F)F)CC3)c12 |
| InChI | InChI=1S/C25H23F5N4O3/c26-16-9-14(34-22-33-12-23(13-36-22)4-7-35-8-5-23)10-17(27)20(16)37-18-1-6-31-21-19(18)15(11-32-21)24(2-3-24)25(28,29)30/h1,6,9-11H,2-5,7-8,12-13H2,(H,31,32)(H,33,34) |
| Molecular weight | 522.17 Da |
| AlogP | 5.822200000000003 |
| HBond acceptors | 7 |
| HBond donors | 2 |
| Atoms | 60 |
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