DGY-06-116 |
DGY-06-116 : Covalent Inhibitor of SRC
Probe Summary
Selectivity
Potency
In Vivo
Control Compounds
Chemical Information
References
Vendors
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Probe Summary
| Targets | Biochemical/Biophysical Potency | Cellular Potency |
|---|---|---|
| SRC |
|
Covalent Inhibitor
up to 1 uM
Selectivity
In Vitro Selectivity Assessment
Potency Assay Off-Target:
Selectivity of our SRC lead DGY-06-116 was assessed with KinomeScan profiling, which is an active si ...
Selectivity Assessment Description:
At 1 μM, compound DGY-06-116 inhibited around 20 kinases. BTK, ABL, and most SFK family members such ...
In Cell Selectivity Assessment
Potency Assay Off-Target:
HCK, one of the off-targets, was tested in a cellular antiproliferation assay. No antiproliferative ...
Potency Cellular
In Vitro
SRC
Mode of Action: Covalent Inhibitor
Structure-Activity-Relationship data available? Yes
DOI Reference: 10.1021/acs.jmedchem.9b01502
In Vivo Validations
Mouse
Dose: 5 mg/Kg
Route of delivery:
Intraperitoneal
Plasma half life:
1.29 h
Area Under the Curve::
12 746.25 min·ng/mL
DOI Reference: 10.1021/acs.jmedchem.9b01502
Negative Control Compounds
NJH-01-111
Notes: NJH-01-111 (cpd 20f) is the reversible analog in which the acrylamide warhead is replaced with propionamide.
Chemical Information
| Molecular Formula | C32H33ClN8O2 |
| SMILEs | C=CC(=O)Nc1ccccc1Nc1nc(Nc2ccc(N3CCN(C)CC3)cc2)ncc1C(=O)Nc1c(C)cccc1Cl |
| InChI | InChI=1S/C32H33ClN8O2/c1-4-28(42)36-26-10-5-6-11-27(26)37-30-24(31(43)38-29-21(2)8-7-9-25(29)33)20-34-32(39-30)35-22-12-14-23(15-13-22)41-18-16-40(3)17-19-41/h4-15,20H,1,16-19H2,2-3H3,(H,36,42)(H,38,43)(H2,34,35,37,39) |
| Molecular weight | 596.24 Da |
| AlogP | 6.054220000000005 |
| HBond acceptors | 10 |
| HBond donors | 4 |
| Atoms | 76 |
| PAINS * | Yes |
* This is an automated alert only, and may not necessarily indicate an issue with this probe. ( Learn more about PAINS )