BDP9066 |
BDP9066 : Inhibitor of CDC42BPA, CDC42BPB
Probe Summary
Selectivity
Potency
In Vivo
Control Compounds
Chemical Information
References
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Probe Summary
| Targets | Biochemical/Biophysical Potency | Cellular Potency |
|---|---|---|
| CDC42BPA |
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| CDC42BPB |
|
|
up to 500 nM
Selectivity
In Vitro Selectivity Assessment
Potency Assay Off-Target:
A panel of 115 kinases was screened with 1 μmol/L BDP9066 either for inhibition of kinase activity a ...
Selectivity Assessment Description:
The majority of kinases were unaffected by BDP9066, of the AGC Kinases ROCK1, ROCK2, CDK2/Cyclin A, ...
In Cell Selectivity Assessment
Potency Assay Off-Target:
757 cancer cell lines were screened using a 7-point dose range up to 10 μmol/L of BDP9066, and viabi ...
Selectivity Assessment Description:
8 cancer types were significantly sensitive and 4 were significantly resistant to BDP9066 relative t ...
Potency Cellular
In Vitro
CDC42BPA
Mode of Action: Inhibitor
Structure-Activity-Relationship data available? No
DOI Reference: 10.1158/0008-5472.CAN-17-2870
CDC42BPB
Mode of Action: Inhibitor
Structure-Activity-Relationship data available? No
DOI Reference: 10.1158/0008-5472.CAN-17-2870
Chemical Information
| Molecular Formula | C20H24N6 |
| SMILEs | c1cc(-c2c[nH]c3nccc(N4CCC[C@]5(CCCCN5)C4)c23)ncn1 |
| InChI | InChI=1S/C20H24N6/c1-2-8-25-20(6-1)7-3-11-26(13-20)17-5-10-22-19-18(17)15(12-23-19)16-4-9-21-14-24-16/h4-5,9-10,12,14,25H,1-3,6-8,11,13H2,(H,22,23)/t20-/m1/s1 |
| Molecular weight | 348.21 Da |
| AlogP | 3.1324000000000005 |
| HBond acceptors | 6 |
| HBond donors | 2 |
| Atoms | 50 |