| Synonyms | |
| Status | |
| Molecule Category | Free-form |
| UNII | G1PEG5Q9Y2 |
| EPA CompTox | DTXSID60993606 |
| InChI Key | FGTCROZDHDSNIO-UHFFFAOYSA-N |
|---|---|
| Smiles | |
| InChI |
|
| Property Name | Value |
|---|---|
| Molecular Formula | C22H16F3N3O2S |
| Molecular Weight | 443.45 |
| AlogP | 6.06 |
| Hydrogen Bond Acceptor | 5.0 |
| Hydrogen Bond Donor | 2.0 |
| Number of Rotational Bond | 6.0 |
| Polar Surface Area | 63.25 |
| Molecular species | NEUTRAL |
| Aromatic Rings | 4.0 |
| Heavy Atoms | 31.0 |
| Mechanism of Action | Action | Reference |
|---|---|---|
| Stem cell growth factor receptor inhibitor | INHIBITOR | PubMed PubMed |
| Vascular endothelial growth factor receptor inhibitor | INHIBITOR | PubMed PubMed |
| Targets | EC50(nM) | IC50(nM) | Kd(nM) | Ki(nM) | Inhibition(%) | |
|---|---|---|---|---|---|---|
|
Enzyme
Cytochrome P450
Cytochrome P450 family 3
Cytochrome P450 family 3A
Cytochrome P450 3A4
|
- | - | - | - | 70-75 | |
|
Enzyme
Kinase
Protein Kinase
TK protein kinase group
Tyrosine protein kinase PDGFR family
|
- | 10-80 | - | - | - | |
|
Enzyme
Kinase
Protein Kinase
TK protein kinase group
Tyrosine protein kinase Src family
|
- | 22 | - | - | - | |
|
Enzyme
Kinase
Protein Kinase
TK protein kinase group
Tyrosine protein kinase VEGFR family
|
- | 5-9 | - | - | - | |
|
Enzyme
Kinase
Protein Kinase
TKL protein kinase group
TKL protein kinase RAF family
|
- | 41 | - | - | - |
|
Protein: Stem cell growth factor receptor Description: Mast/stem cell growth factor receptor Kit Organism : Homo sapiens P10721 ENSG00000157404 |
||||
|
Protein: Vascular endothelial growth factor receptor Description: Vascular endothelial growth factor receptor 1 Organism : Homo sapiens P17948 ENSG00000102755 |
||||
|
Protein: Vascular endothelial growth factor receptor Description: Vascular endothelial growth factor receptor 3 Organism : Homo sapiens P35916 ENSG00000037280 |
||||
|
Protein: Vascular endothelial growth factor receptor Description: Vascular endothelial growth factor receptor 2 Organism : Homo sapiens P35968 ENSG00000128052 |
||||
| Resources | Reference |
|---|---|
| CAS NUMBER | 728033-96-3 |
| ChEBI | 91433 |
| ChEMBL | CHEMBL1614710 |
| DrugBank | DB05913 |
| FDA SRS | G1PEG5Q9Y2 |
| Guide to Pharmacology | 9383 |
| PubChem | 9868037 |
| SureChEMBL | SCHEMBL633719 |
| ZINC | ZINC000003962535 |