GNE-064 |
GNE-064 : Inhibitor of BRDs of SMARCA4, SMARCA2, PBRM1 (BD5)
Probe Summary
Selectivity
Potency
In Vivo
Control Compounds
Chemical Information
References
Vendors
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Probe Summary
| Targets | Biochemical/Biophysical Potency | Cellular Potency |
|---|---|---|
| SMARCA4 |
| |
| SMARCA2 |
|
|
| PBRM1 |
|
Inhibitor
up to 1 uM
Selectivity
In Vitro Selectivity Assessment
Potency Assay Off-Target:
BromoSCAN of GNE-064 exhibit high potency against SMARCA2, SMARCA4, and PBRM1(5), modest affinity fo ...
Potency Cellular
In Vitro
SMARCA4
Mode of Action: Inhibitor
Structure-Activity-Relationship data available? No
DOI Reference: 10.1021/acs.jmedchem.2c00662
SMARCA2
Mode of Action: Inhibitor
Structure-Activity-Relationship data available? No
DOI Reference: 10.1021/acs.jmedchem.2c00662
PBRM1
Mode of Action: Inhibitor
Structure-Activity-Relationship data available? No
DOI Reference: 10.1021/acs.jmedchem.2c00662
In Vivo Validations
Mouse
Dose: 0.5 (IV), 1.0 (PO) mg/Kg
Route of delivery:
Intravenous, Oral
Plasma half life:
1.1 h (IV)
Systemic clearance:
16 mL/min/Kg
Cmax:
1.0 uM (PO)
Bioavailability:
59 %
Volume of Distribution at Steady-State:
1.0 L/Kg
DOI Reference: 10.1021/acs.jmedchem.2c00662
Chemical Information
| Molecular Formula | C17H21N5O2 |
| SMILEs | CC(=O)N1CCN(c2cc(-c3ccccc3O)nnc2N)C[C@H]1C |
| InChI | InChI=1S/C17H21N5O2/c1-11-10-21(7-8-22(11)12(2)23)15-9-14(19-20-17(15)18)13-5-3-4-6-16(13)24/h3-6,9,11,24H,7-8,10H2,1-2H3,(H2,18,20)/t11-/m1/s1 |
| Molecular weight | 327.17 Da |
| AlogP | 1.4884 |
| HBond acceptors | 7 |
| HBond donors | 3 |
| Atoms | 45 |