| InChI Key | IFPPYSWJNWHOLQ-UHFFFAOYSA-N |
|---|---|
| Smiles | |
| InChI |
|
| Property Name | Value |
|---|---|
| Molecular Formula | C26H27Cl2N5O2 |
| Molecular Weight | 512.44 |
| AlogP | 5.77 |
| Hydrogen Bond Acceptor | 7.0 |
| Hydrogen Bond Donor | 1.0 |
| Number of Rotational Bond | 9.0 |
| Polar Surface Area | 72.28 |
| Molecular species | BASE |
| Aromatic Rings | 4.0 |
| Heavy Atoms | 35.0 |
| Mechanism of Action | Action | Reference |
|---|---|---|
| Epidermal growth factor receptor erbB1 inhibitor | INHIBITOR | PubMed |
| Targets | EC50(nM) | IC50(nM) | Kd(nM) | Ki(nM) | Inhibition(%) | |
|---|---|---|---|---|---|---|
|
Enzyme
Kinase
Protein Kinase
Other protein kinase group
Other protein kinase WEE family
Other protein kinase WEE1
|
- | - | 5 | - | - | |
|
Enzyme
Kinase
Protein Kinase
Other protein kinase group
Other protein kinase WEE family
|
- | 7-165 | 11-247 | 0.8-2 | - | |
|
Enzyme
Kinase
Protein Kinase
TK protein kinase group
Tyrosine protein kinase EGFR family
|
- | 350 | - | - | - | |
|
Enzyme
Kinase
Protein Kinase
TK protein kinase group
Tyrosine protein kinase FGFR family
|
- | 43-44 | - | - | - | |
|
Enzyme
Kinase
Protein Kinase
TK protein kinase group
Tyrosine protein kinase PDGFR family
|
- | 1.8-96 | - | - | - | |
|
Enzyme
Kinase
Protein Kinase
TK protein kinase group
Tyrosine protein kinase Src family
|
- | 9-9 | - | - | - | |
|
Enzyme
Kinase
Protein Kinase
TKL protein kinase group
TKL protein kinase RIPK family
|
- | 13 | - | - | - | |
|
Enzyme
Kinase
Protein Kinase
TKL protein kinase group
TKL protein kinase STKR family
TKL protein kinase STKR1
|
- | 21 | - | - | - | |
|
Transcription factor
|
- | 7.2 | - | - | - | |
|
Unclassified protein
|
- | 37 | - | - | - |
|
Protein: Epidermal growth factor receptor erbB1 Description: Epidermal growth factor receptor Organism : Homo sapiens P00533 ENSG00000146648 |
||||
|
Protein: Platelet-derived growth factor receptor beta Description: Platelet-derived growth factor receptor beta Organism : Homo sapiens P09619 ENSG00000113721 |
||||
|
Protein: Fibroblast growth factor receptor 1 Description: Fibroblast growth factor receptor 1 Organism : Homo sapiens P11362 ENSG00000077782 |
||||
|
Protein: Tyrosine-protein kinase SRC Description: Proto-oncogene tyrosine-protein kinase Src Organism : Homo sapiens P12931 ENSG00000197122 |
||||
| Resources | Reference |
|---|---|
| ChEMBL | CHEMBL49120 |
| FDA SRS | F2UH9R2JT6 |
| Guide to Pharmacology | 8183 |
| PDB | 96M |
| SureChEMBL | SCHEMBL133914 |
| ZINC | ZINC000001486219 |
| ChEMBL | CHEMBL3545196 |
| FDA SRS | F2UH9R2JT6 |
| SureChEMBL | SCHEMBL15106017 |