A1H7Z |
A1H7Z : Inhibitor of NSD2
Probe Summary
Selectivity
Potency
In Vivo
Control Compounds
Chemical Information
References
Vendors
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Probe Summary
| Targets | Biochemical/Biophysical Potency | Cellular Potency |
|---|---|---|
| NSD2 (Other variant:PWWP1 domain) |
|
|
Inhibitor
up to 1 uM
Selectivity
In Vitro Selectivity Assessment
Potency Assay Off-Target:
Selective against within family (NSD3 SPR Kd pIC50 4.6)
Potency Cellular
In Vitro
NSD2
(Other variant:PWWP1 domain)
Mode of Action: Inhibitor
Structure-Activity-Relationship data available? No
DOI Reference: 10.1021/acs.jmedchem.4c00215
In Vivo Validations
Rat
Dose: 0.5 mg/kg
Route of delivery:
Intravenous
Plasma half life:
0.61 h
Systemic clearance:
50 mL/min/kg
Volume of Distribution at Steady-State:
1.9 L/Kg
DOI Reference: 10.1021/acs.jmedchem.4c00215
Dose: 1.0 mg/kg
Route of delivery:
Oral
Cmax:
0.006 μmol/L
Tmax:
0.5 h
Area Under the Curve::
0.015 μmol/L*h
Bioavailability:
2.0%
DOI Reference: 10.1021/acs.jmedchem.4c00215
Chemical Information
| Molecular Formula | C25H27N3O3 |
| SMILEs | Cc1ccc(CN2CCCCC2)cc1-c1noc(C)c1-c1ccc2c(c1)OCC(=O)N2 |
| InChI | InChI=1S/C25H27N3O3/c1-16-6-7-18(14-28-10-4-3-5-11-28)12-20(16)25-24(17(2)31-27-25)19-8-9-21-22(13-19)30-15-23(29)26-21/h6-9,12-13H,3-5,10-11,14-15H2,1-2H3,(H,26,29) |
| Molecular weight | 417.21 Da |
| AlogP | 4.942240000000004 |
| HBond acceptors | 6 |
| HBond donors | 1 |
| Atoms | 58 |