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 |
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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Targets | EC50(nM) | IC50(nM) | Kd(nM) | Ki(nM) | Inhibition(%) | ||
---|---|---|---|---|---|---|---|
Enzyme
Kinase
Protein Kinase
Other protein kinase group
Other protein kinase NAK family
|
- | - | 0 | - | - | ||
Enzyme
Kinase
Protein Kinase
TK protein kinase group
Tyrosine protein kinase EGFR family
|
- | - | 220 | - | - |
Resources | Reference | |
---|---|---|
ChEMBL | CHEMBL3545396 | |
DrugBank | DB11665 | |
FDA SRS | VKU5X213Q7 | |
Guide to Pharmacology | 7879 | |
PubChem | 11349170 | |
SureChEMBL | SCHEMBL1219326 | |
ZINC | ZINC000043152599 |