ELIMUSERTIB |
ELIMUSERTIB : Inhibitor of ATR
Probe Summary
Selectivity
Potency
In Vivo
Control Compounds
Chemical Information
References
Vendors
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Probe Summary
| Targets | Biochemical/Biophysical Potency | Cellular Potency |
|---|---|---|
| ATR |
|
|
Inhibitor
up to 1 uM
Selectivity
In Vitro Selectivity Assessment
Potency Assay Off-Target:
BAY 1895344 was evaluated in an in-house kinase selectivity panel, as well as by KINOMEscan profilin ...
In Cell Selectivity Assessment
Potency Assay Off-Target:
BAY 1895344 showed good selectivity against mTOR (ratio of IC50 values: mTOR/ATR 61) in cellular mec ...
Potency Cellular
In Vitro
ATR
Mode of Action: Inhibitor
Structure-Activity-Relationship data available? Yes
DOI Reference: 10.1021/acs.jmedchem.0c00369
In Vivo Validations
Mouse
Dose:
Route of delivery:
Intravenous, Oral
Plasma half life:
0.17 h (apparent)
Systemic clearance:
3.5 L/h/kg
Volume of Distribution at Steady-State:
8.8 L/Kg
DOI Reference: 10.1021/acs.jmedchem.0c00369
Dose: 4 mg/Kg
Route of delivery:
Intravenous
Plasma half life:
90.9 min
Systemic clearance:
55.8 mL/min/Kg
Cmax:
2573 ng/mL
Tmax:
5 min
Area Under the Curve::
58.2 ug/mL*min
Volume of Distribution at Steady-State:
7.31 L/Kg
DOI Reference: 10.1007/s00280-022-04436-0
Dose: 4 mg/Kg
Route of delivery:
Oral
Plasma half life:
125 min
Systemic clearance:
432 mL/min/Kg
Cmax:
110.0 ng/mL
Tmax:
15 min
Area Under the Curve::
8.37 ug/mL*min
Volume of Distribution at Steady-State:
77.7 L/Kg
DOI Reference: 10.1007/s00280-022-04436-0
Rat
Dose:
Route of delivery:
Intravenous, Oral
Plasma half life:
1.3 h (apparent)
Systemic clearance:
1.2 L/h/kg
Bioavailability:
87%
Volume of Distribution at Steady-State:
1.7 L/Kg
DOI Reference: 10.1021/acs.jmedchem.0c00369
Dog
Dose:
Route of delivery:
Intravenous, Oral
Plasma half life:
1.0 h (apparent)
Systemic clearance:
0.79 L/h/kg
Bioavailability:
51%
Volume of Distribution at Steady-State:
1.0 L/Kg
DOI Reference: 10.1021/acs.jmedchem.0c00369
Chemical Information
| Molecular Formula | C20H21N7O |
| SMILEs | C[C@@H]1COCCN1c1cc(-c2ccnn2C)c2ccnc(-c3ccn[nH]3)c2n1 |
| InChI | InChI=1S/C20H21N7O/c1-13-12-28-10-9-27(13)18-11-15(17-5-8-23-26(17)2)14-3-6-21-20(19(14)24-18)16-4-7-22-25-16/h3-8,11,13H,9-10,12H2,1-2H3,(H,22,25)/t13-/m1/s1 |
| Molecular weight | 375.18 Da |
| AlogP | 0.0 |
| HBond acceptors | 8 |
| HBond donors | 1 |
| Atoms | 49 |
References
Vendors
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