CDD-1653 |
CDD-1653 : Inhibitor of BMPR2
Probe Summary
Selectivity
Potency
In Vivo
Control Compounds
Chemical Information
References
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Probe Summary
| Targets | Biochemical/Biophysical Potency | Cellular Potency |
|---|---|---|
| BMPR2 |
|
|
Inhibitor
up to 25 uM
Selectivity
In Vitro Selectivity Assessment
Potency Assay Off-Target:
KinomeSCAN @ 1 uM against 403 kinases with closest off-target ALK1 >1000 nM
Potency Cellular
In Vitro
BMPR2
Mode of Action: Inhibitor
Structure-Activity-Relationship data available? Yes
DOI Reference: 10.1021/acs.jmedchem.2c01886
Chemical Information
| Molecular Formula | C21H22N6O4S |
| SMILEs | COc1cnc(Nc2cccc(S(N)(=O)=O)c2)nc1N1CCN(c2ccccc2)C(=O)C1 |
| InChI | InChI=1S/C21H22N6O4S/c1-31-18-13-23-21(24-15-6-5-9-17(12-15)32(22,29)30)25-20(18)26-10-11-27(19(28)14-26)16-7-3-2-4-8-16/h2-9,12-13H,10-11,14H2,1H3,(H2,22,29,30)(H,23,24,25) |
| Molecular weight | 454.14 Da |
| AlogP | 0.0 |
| HBond acceptors | 10 |
| HBond donors | 3 |
| Atoms | 54 |
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