| Trade Names: | |
| Synonyms: | |
| Status: | Approved (2018) |
| Entry Type: | Small molecule |
| Molecule Category: | UNKNOWN |
| ATC: | L01EB07 |
| UNII: | 5092U85G58 |
Structure
| InChI Key | LVXJQMNHJWSHET-AATRIKPKSA-N |
|---|---|
| Smile | |
| InChI |
|
Physicochemical Descriptors
| Property Name | Value |
|---|---|
| Molecular Formula | C24H25ClFN5O2 |
| Molecular Weight | 469.95 |
| AlogP | 5.16 |
| Hydrogen Bond Acceptor | 6.0 |
| Hydrogen Bond Donor | 2.0 |
| Number of Rotational Bond | 7.0 |
| Polar Surface Area | 79.38 |
| Molecular species | BASE |
| Aromatic Rings | 3.0 |
| Heavy Atoms | 33.0 |
Pharmacology
| Action | Mechanism of Action | Reference |
|---|---|---|
| INHIBITOR | Epidermal growth factor receptor erbB1 inhibitor |
| Targets | EC50(nM) | IC50(nM) | Kd(nM) | Ki(nM) | Inhibition(%) | |
|---|---|---|---|---|---|---|
|
Enzyme
Kinase
Protein Kinase
TK protein kinase group
Tyrosine protein kinase EGFR family
|
- | 46 | - | - | - |
Indications
Related Entries
MCS
Scaffolds
Adverse Reactions
System Organ Classification (SOC)
Cross References
| Resources | Reference |
|---|---|
| CAS NUMBER | 1110813-31-4 |
| ChEMBL | CHEMBL2105719 |
| EPA CompTox | DTXSID80146359 |
| FDA SRS | 5092U85G58 |
| Guide to Pharmacology | 7422 |
| PDB | 1C9 |
| PubChem | 11511120 |
| SureChEMBL | SCHEMBL25637 |
| CAS NUMBER | 1110813-31-4 |
| ChEBI | 132268 |
| ChEMBL | CHEMBL2110732 |
| DrugBank | DB11963 |
| DrugCentral | 5297 |
| EPA CompTox | DTXSID50149493 |
| FDA SRS | 5092U85G58 |
| Guide to Pharmacology | 7422 |
| PDB | 1C9 |
| PubChem | 11511120 |
| SureChEMBL | SCHEMBL25637 |
| ZINC | ZINC000072266312 |
CONTENTS