ART5537 |
ART5537 : Inhibitor of EXO1
Probe Summary
Selectivity
Potency
In Vivo
Control Compounds
Chemical Information
References
Vendors
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Probe Summary
| Targets | Biochemical/Biophysical Potency | Cellular Potency |
|---|---|---|
| EXO1 |
|
|
1µM
Selectivity
In Cell Selectivity Assessment
Potency Assay Off-Target:
ART5537 was found not to be broadly cytotoxic in a panel of 93 cancer cell lines, or in two addition ...
In Vitro Selectivity Assessment
Potency Assay Off-Target:
The broader nuclease selectivity profile of ART5537 is also supportive of EXO1-driven phenotypes, wi ...
Potency Cellular
In Vitro
EXO1
Mode of Action: Inhibitor
Structure-Activity-Relationship data available? Yes
DOI Reference: 10.1021/acs.jmedchem.5c02593
In Vivo Validations
Mouse
Dose: 0.2 mg/Kg
Route of delivery:
Intravenous
Plasma half life:
0.7 h
Systemic clearance:
111 mL/min/kg
Volume of Distribution at Steady-State:
5.7 L/Kg
DOI Reference: 10.1021/acs.jmedchem.5c02593
Negative Control Compounds
cpd 30
Notes: Tested in biochemical and cell assay, cpd 30 shows a reduced inhibitory activity (IC50 344 nM Biochemical, Kd 174 nM SPR, EC50 396 nM HR)
SMILES:
C[C@@H](N1CN(N2C=CC(=O)C(=C2C1=O)O)c1ncc(c2ccncc12)Cl)c1ccccc1
Chemical Information
| Molecular Formula | C23H18ClN5O3 |
| SMILEs | C[C@@H](c1ccccc1)N1CN(c2ncc(Cl)c3ccncc23)n2ccc(=O)c(O)c2C1=O |
| InChI | InChI=1S/C23H18ClN5O3/c1-14(15-5-3-2-4-6-15)27-13-29(28-10-8-19(30)21(31)20(28)23(27)32)22-17-11-25-9-7-16(17)18(24)12-26-22/h2-12,14,31H,13H2,1H3/t14-/m0/s1 |
| Molecular weight | 447.11 Da |
| AlogP | 3.5947000000000027 |
| HBond acceptors | 8 |
| HBond donors | 1 |
| Atoms | 50 |