CC-90003 |
CC-90003 : Covalent Inhibitor of MAPK3, MAPK1
Probe Summary
Selectivity
Potency
In Vivo
Control Compounds
Chemical Information
References
Vendors
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Probe Summary
| Targets | Biochemical/Biophysical Potency | Cellular Potency |
|---|---|---|
| MAPK3 |
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| MAPK1 |
|
|
Covalent Inhibitor
up to 1 uM
Selectivity
In Cell Selectivity Assessment
Potency Assay Off-Target:
In an ActivX cellular kinase screening using A375 BRAF V600E–mutant melanoma cell line, only 5 of 19 ...
Selectivity Assessment Description:
Only 3 kinases, in addition to ERK1/2, were inhibited in cells at biologically relevant concentratio ...
In Vitro Selectivity Assessment
Potency Assay Off-Target:
In a 258-kinase biochemical assay panel, significant inhibition of 213 kinases (<50% inhibition), mo ...
In Vitro Selectivity Assessment
Potency Assay Off-Target:
No significant inhibition (<14%) was found in a Cerep panel of 40 nonkinase enzymes and receptors @ ...
In Cell Selectivity Assessment
Potency Assay Off-Target:
Activity of CC-90003 was tested on 240 cancer cell lines in a 3-day proliferation assay and demonstr ...
Potency Cellular
In Vitro
MAPK3
Mode of Action: Covalent Inhibitor
Structure-Activity-Relationship data available? No
DOI Reference: 10.1158/1541-7786.MCR-17-0554
MAPK1
Mode of Action: Covalent Inhibitor
Structure-Activity-Relationship data available? No
DOI Reference: 10.1158/1541-7786.MCR-17-0554
In Vivo Validations
Mouse
Dose: 12.5 - 100 mg/Kg
Area Under the Curve::
270 - 3900ng∙hr/mL
DOI Reference: 10.1158/1541-7786.MCR-17-0554
Chemical Information
| Molecular Formula | C22H21F3N6O2 |
| SMILEs | C=CC(=O)Nc1cc(C)ccc1Nc1nc(Nc2cc(OC)ncc2C)ncc1C(F)(F)F |
| InChI | InChI=1S/C22H21F3N6O2/c1-5-18(32)28-17-8-12(2)6-7-15(17)29-20-14(22(23,24)25)11-27-21(31-20)30-16-9-19(33-4)26-10-13(16)3/h5-11H,1H2,2-4H3,(H,28,32)(H2,26,27,29,30,31) |
| Molecular weight | 458.17 Da |
| AlogP | 5.127540000000002 |
| HBond acceptors | 8 |
| HBond donors | 3 |
| Atoms | 54 |