Synonyms | |
Status | |
Molecule Category | Free-form |
UNII | WE92U03C5Z |
EPA CompTox | DTXSID20184412 |
InChI Key | HEKAIDKUDLCBRU-UHFFFAOYSA-N | |
---|---|---|
Smiles | ||
InChI |
|
Property Name | Value | |
---|---|---|
Molecular Formula | C24H21N3OS | |
Molecular Weight | 399.52 | |
AlogP | 6.0 | |
Hydrogen Bond Acceptor | 4.0 | |
Hydrogen Bond Donor | 1.0 | |
Number of Rotational Bond | 5.0 | |
Polar Surface Area | 54.88 | |
Molecular species | NEUTRAL | |
Aromatic Rings | 4.0 | |
Heavy Atoms | 29.0 |
Mechanism of Action | Action | Reference | |
---|---|---|---|
MAP kinase p38 alpha inhibitor | INHIBITOR | PubMed |
Protein: MAP kinase p38 alpha Description: Mitogen-activated protein kinase 14 Organism : Homo sapiens Q16539 ENSG00000112062 |
||||
Targets | EC50(nM) | IC50(nM) | Kd(nM) | Ki(nM) | Inhibition(%) | ||
---|---|---|---|---|---|---|---|
Enzyme
Cytochrome P450
Cytochrome P450 family 3
Cytochrome P450 family 3A
Cytochrome P450 3A4
|
- | - | - | - | 4 | ||
Enzyme
Kinase
Protein Kinase
CMGC protein kinase group
CMGC protein kinase MAPK family
CMGC protein kinase p38 subfamily
|
- | 7-240 | - | - | - |
Resources | Reference | |
---|---|---|
ChEBI | 91360 | |
ChEMBL | CHEMBL363648 | |
DrugBank | DB16108 | |
FDA SRS | WE92U03C5Z | |
Guide to Pharmacology | 9328 | |
PDB | T75 | |
PubChem | 9952773 | |
SureChEMBL | SCHEMBL297487 | |
ZINC | ZINC000006717791 |