CRT0066101 |
CRT0066101 : Inhibitor of PRKD1, PRKD2, PRKD3
Probe Summary
Selectivity
Potency
In Vivo
Control Compounds
Chemical Information
References
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Probe Summary
| Targets | Biochemical/Biophysical Potency | Cellular Potency |
|---|---|---|
| PRKD1 |
|
|
| PRKD2 |
|
|
| PRKD3 |
|
up to 5 µM
Selectivity
In Cell Selectivity Assessment
Potency Assay Off-Target:
Cell proliferation of pancreatic cancer cells either expressing moderate-high (Colo357, Panc-1, MiaP ...
Selectivity Assessment Description:
CRT0066101 significantly reduced the cell proliferation of Colo357, Panc-1, MiaPaCa-2, and AsPC-1 ce ...
In Vitro Selectivity Assessment
Potency Assay Off-Target:
The specificity of CRT0066101 for PKD family members was confirmed in an in vitro kinase assay compr ...
Potency Cellular
In Vitro
PRKD1
Mode of Action: Inhibitor
Structure-Activity-Relationship data available? No
DOI Reference: 10.1158/1535-7163.MCT-09-1145
PRKD2
Mode of Action: Inhibitor
Structure-Activity-Relationship data available? No
DOI Reference: 10.1158/1535-7163.MCT-09-1145
PRKD3
Mode of Action: Inhibitor
Structure-Activity-Relationship data available? No
DOI Reference: 10.1158/1535-7163.MCT-09-1145
In Vivo Validations
Mouse
Dose: 80 mg/Kg
Route of delivery:
Oral
Plasma half life:
1 h
Bioavailability:
~100%
DOI Reference: 10.1158/1535-7163.MCT-09-1145
Chemical Information
| Molecular Formula | C18H22N6O |
| SMILEs | CC[C@@H](N)CNc1ccnc(-c2cc(-c3cnn(C)c3)ccc2O)n1 |
| InChI | InChI=1S/C18H22N6O/c1-3-14(19)10-21-17-6-7-20-18(23-17)15-8-12(4-5-16(15)25)13-9-22-24(2)11-13/h4-9,11,14,25H,3,10,19H2,1-2H3,(H,20,21,23)/t14-/m1/s1 |
| Molecular weight | 338.19 Da |
| AlogP | 2.3989000000000007 |
| HBond acceptors | 7 |
| HBond donors | 4 |
| Atoms | 47 |