NEDISERTIB |
NEDISERTIB : Inhibitor of PRKDC
Probe Summary
Selectivity
Potency
In Vivo
Control Compounds
Chemical Information
References
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Probe Summary
| Targets | Biochemical/Biophysical Potency | Cellular Potency |
|---|---|---|
| PRKDC |
|
|
Inhibitor
up to 1 uM
Selectivity
In Vitro Selectivity Assessment
Potency Assay Off-Target:
Selectivity within target family:
IC50s ATM 10,000 nM, ATR 2,800 nM, hPI3Kalpha 330 nM, hPI3Kbeta 2 ...
In Cell Selectivity Assessment
Potency Assay Off-Target:
In bleomycin-treated HCT-116 cells, M3814 did not inhibit phosphorylation of the ATM kinase substrat ...
Potency Cellular
In Vitro
PRKDC
Mode of Action: Inhibitor
Structure-Activity-Relationship data available? No
DOI Reference: 10.1158/1535-7163.MCT-19-0734
In Vivo Validations
Mouse
Dose: 0.2 mg/Kg
Route of delivery:
Intravenous
Plasma half life:
0.647 h
Systemic clearance:
1.55 L/h/Kg
Cmax:
748 ng/mL
Tmax:
0.100 h
Area Under the Curve::
644 h*ng/mL
Volume of Distribution at Steady-State:
1.28 L/Kg
DOI Reference: 10.1158/1535-7163.MCT-19-0734
Dose: 0.5 mg/Kg
Route of delivery:
Oral
Plasma half life:
0.987 h
Cmax:
111 ng/mL
Area Under the Curve::
132 h*ng/mL
Bioavailability:
~20%
DOI Reference: 10.1158/1535-7163.MCT-19-0734
Chemical Information
| Molecular Formula | C24H21ClFN5O3 |
| SMILEs | COc1ccc([C@@H](O)c2cc(-c3ncnc4cc(N5CCOCC5)ccc34)c(F)cc2Cl)nn1 |
| InChI | InChI=1S/C24H21ClFN5O3/c1-33-22-5-4-20(29-30-22)24(32)16-11-17(19(26)12-18(16)25)23-15-3-2-14(10-21(15)27-13-28-23)31-6-8-34-9-7-31/h2-5,10-13,24,32H,6-9H2,1H3/t24-/m0/s1 |
| Molecular weight | 481.13 Da |
| AlogP | 0.0 |
| HBond acceptors | 8 |
| HBond donors | 1 |
| Atoms | 55 |
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