IPP/CNRS-A017 |
Inhibitor of DHODH
Probe Summary
Selectivity
Potency
In Vivo
Control Compounds
Chemical Information
References
Vendors
Download
Probe Summary
| Targets | Biochemical/Biophysical Potency | Cellular Potency |
|---|---|---|
| DHODH |
|
|
Inhibitor
up to 100 nM
Selectivity
In Vitro Selectivity Assessment
Potency Assay Off-Target:
Selectivity outside target family:
GPCR screen (44 targets): Closest off-targets at 10 µM are GABA/ ...
Potency Cellular
In Vitro
DHODH
Mode of Action: Inhibitor
Structure-Activity-Relationship data available? Yes
DOI Reference: 10.1021/acs.jmedchem.5b00606
Negative Control Compounds
Chemical Information
| Molecular Formula | C21H20F3N3O2 |
| SMILEs | Cc1c(Oc2c(F)cccc2F)c(OC(C)C)nn1-c1ncc(C2CC2)cc1F |
| InChI | InChI=1S/C21H20F3N3O2/c1-11(2)28-21-18(29-19-15(22)5-4-6-16(19)23)12(3)27(26-21)20-17(24)9-14(10-25-20)13-7-8-13/h4-6,9-11,13H,7-8H2,1-3H3 |
| Molecular weight | 403.15 Da |
| AlogP | 5.449920000000003 |
| HBond acceptors | 5 |
| HBond donors | -- |
| Atoms | 49 |
References
Publications
Vendors
Note: This is not an exhaustive list and does not indicate endorsement by the portal.