FIDRISERTIB |
FIDRISERTIB : Inhibitor of ACVR1
Probe Summary
Selectivity
Potency
In Vivo
Control Compounds
Chemical Information
References
Vendors
Download
Probe Summary
| Targets | Biochemical/Biophysical Potency | Cellular Potency |
|---|---|---|
| ACVR1 (Mutant:WT, R206H) |
|
|
Inhibitor
up to 100 nM
Selectivity
In Vitro Selectivity Assessment
Potency Assay Off-Target:
Kinome profiling of BLU-782 showed high selectivity, with only four kinases exhibiting <100 nM prote ...
In Cell Selectivity Assessment
Potency Assay Off-Target:
Cellular IC50 values showed >100-fold selectivity of BLU-782 for ALK2-R206H over ALK1, ALK3, and ALK ...
Potency Cellular
In Vitro
ACVR1
(Mutant:WT, R206H)
Mode of Action: Inhibitor
Structure-Activity-Relationship data available? Yes
DOI Reference: 10.1126/scitranslmed.abp8334
In Vivo Validations
Mouse
Dose: 10, 25, or 50 mg/kg
Route of delivery:
Oral
Target engagement assay:
Measurements of SMAD1-P in tumor homogenates revealed potent inhibition of ALK2R206H signaling by BLU-782 in a time-, dose-, and exposure-dependent manner with >70% SMAD1-P inhibition for 24 hours at the 50 mg/kg oral dose (IC70 = 13.2 ng/ml in mice).
DOI Reference: 10.1126/scitranslmed.abp8334
Chemical Information
| Molecular Formula | C31H42N6O4 |
| SMILEs | CCOC1(c2ccc(-c3cc4c(N5CCN(C(=O)O[C@@H]6CCOC6)CC5)ccnn4c3)nc2)CCN(C(C)C)CC1 |
| InChI | InChI=1S/C31H42N6O4/c1-4-40-31(9-12-34(13-10-31)23(2)3)25-5-6-27(32-20-25)24-19-29-28(7-11-33-37(29)21-24)35-14-16-36(17-15-35)30(38)41-26-8-18-39-22-26/h5-7,11,19-21,23,26H,4,8-10,12-18,22H2,1-3H3/t26-/m1/s1 |
| Molecular weight | 562.33 Da |
| AlogP | 0.0 |
| HBond acceptors | 10 |
| HBond donors | -- |
| Atoms | 83 |
Vendors
Note: This is not an exhaustive list and does not indicate endorsement by the portal.