| Synonyms | |
| Status | |
| Molecule Category | Free-form |
| UNII | 7Y0IV7N95Q |
| EPA CompTox | DTXSID90467123 |
Structure
| InChI Key | CVAKNHIXTWLGJO-UHFFFAOYSA-N |
|---|---|
| Smiles | |
| InChI |
|
Physicochemical Descriptors
| Property Name | Value |
|---|---|
| Molecular Formula | C30H32ClN7OS |
| Molecular Weight | 574.15 |
| AlogP | 6.46 |
| Hydrogen Bond Acceptor | 9.0 |
| Hydrogen Bond Donor | 1.0 |
| Number of Rotational Bond | 7.0 |
| Polar Surface Area | 82.24 |
| Molecular species | BASE |
| Aromatic Rings | 4.0 |
| Heavy Atoms | 40.0 |
Pharmacology
| Mechanism of Action | Action | Reference |
|---|---|---|
| Dual specificity mitogen-activated protein kinase kinase 1 inhibitor | INHIBITOR | Other |
Target Conservation
|
Protein: Dual specificity mitogen-activated protein kinase kinase 2 Description: Dual specificity mitogen-activated protein kinase kinase 2 Organism : Homo sapiens P36507 ENSG00000126934 |
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Protein: Dual specificity mitogen-activated protein kinase kinase 1 Description: Dual specificity mitogen-activated protein kinase kinase 1 Organism : Homo sapiens Q02750 ENSG00000169032 |
|
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Cross References
| Resources | Reference |
|---|---|
| ChEMBL | CHEMBL2104954 |
| FDA SRS | 7Y0IV7N95Q |
| Guide to Pharmacology | 9925 |
| PubChem | 11478684 |
| SureChEMBL | SCHEMBL2965207 |
| ZINC | ZINC000011726212 |
CONTENTS
