| Synonyms | |
| Status | |
| Molecule Category | Free-form |
| UNII | VKU5X213Q7 |
| EPA CompTox | DTXSID3042689 |
| InChI Key | CSGQVNMSRKWUSH-IAGOWNOFSA-N |
|---|---|
| Smiles | |
| InChI |
|
| Property Name | Value |
|---|---|
| Molecular Formula | C19H24N6O2 |
| Molecular Weight | 368.44 |
| AlogP | 1.38 |
| Hydrogen Bond Acceptor | 8.0 |
| Hydrogen Bond Donor | 3.0 |
| Number of Rotational Bond | 5.0 |
| Polar Surface Area | 100.94 |
| Molecular species | BASE |
| Aromatic Rings | 3.0 |
| Heavy Atoms | 27.0 |
| Mechanism of Action | Action | Reference |
|---|---|---|
| Epidermal growth factor receptor erbB1 inhibitor | INHIBITOR | PubMed PubMed |
| Targets | EC50(nM) | IC50(nM) | Kd(nM) | Ki(nM) | Inhibition(%) | |
|---|---|---|---|---|---|---|
|
Enzyme
Kinase
Protein Kinase
Other protein kinase group
Other protein kinase NAK family
|
- | - | 0.3 | - | - | |
|
Enzyme
Kinase
Protein Kinase
TK protein kinase group
Tyrosine protein kinase EGFR family
|
- | - | 220 | - | - |
|
Protein: Epidermal growth factor receptor erbB1 Description: Epidermal growth factor receptor Organism : Homo sapiens P00533 ENSG00000146648 |
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Protein: Receptor protein-tyrosine kinase erbB-2 Description: Receptor tyrosine-protein kinase erbB-2 Organism : Homo sapiens P04626 ENSG00000141736 |
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|
Protein: Vascular endothelial growth factor receptor Description: Vascular endothelial growth factor receptor 1 Organism : Homo sapiens P17948 ENSG00000102755 |
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|
Protein: Vascular endothelial growth factor receptor Description: Vascular endothelial growth factor receptor 3 Organism : Homo sapiens P35916 ENSG00000037280 |
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|
Protein: Vascular endothelial growth factor receptor Description: Vascular endothelial growth factor receptor 2 Organism : Homo sapiens P35968 ENSG00000128052 |
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|
Protein: Receptor protein-tyrosine kinase erbB-4 Description: Receptor tyrosine-protein kinase erbB-4 Organism : Homo sapiens Q15303 ENSG00000178568 |
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| Resources | Reference |
|---|---|
| ChEMBL | CHEMBL3545396 |
| DrugBank | DB11665 |
| FDA SRS | VKU5X213Q7 |
| Guide to Pharmacology | 7879 |
| PubChem | 11349170 |
| SureChEMBL | SCHEMBL1219326 |
| ZINC | ZINC000043152599 |