SEMAXANIB

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Synonyms
Status
Molecule Category Free-form
UNII 71IA9S35AJ

Structure

InChI Key WUWDLXZGHZSWQZ-WQLSENKSSA-N
Smiles Cc1cc(C)c(/C=C2\C(=O)Nc3ccccc32)[nH]1
InChI
InChI=1S/C15H14N2O/c1-9-7-10(2)16-14(9)8-12-11-5-3-4-6-13(11)17-15(12)18/h3-8,16H,1-2H3,(H,17,18)/b12-8-

Physicochemical Descriptors

Property Name Value
Molecular Formula C15H14N2O
Molecular Weight 238.29
AlogP 3.12
Hydrogen Bond Acceptor 1.0
Hydrogen Bond Donor 2.0
Number of Rotational Bond 1.0
Polar Surface Area 44.89
Molecular species NEUTRAL
Aromatic Rings 2.0
Heavy Atoms 18.0

Pharmacology

Mechanism of Action Action Reference
Stem cell growth factor receptor inhibitor INHIBITOR PubMed PubMed
Targets EC50(nM) IC50(nM) Kd(nM) Ki(nM) Inhibition(%)
Enzyme Kinase Protein Kinase TK protein kinase group Tyrosine protein kinase FGFR family
- - - - 87
Enzyme Kinase Protein Kinase TK protein kinase group Tyrosine protein kinase PDGFR family
- 35-680 - - -
Enzyme Kinase Protein Kinase TK protein kinase group Tyrosine protein kinase Ret family
- 170 - - -
Enzyme Kinase Protein Kinase TK protein kinase group Tyrosine protein kinase VEGFR family
- 8-884 - - 40-40
EC50(nM) IC50(nM) Kd(nM) Ki(nM) Inhibition(%)
Gallus gallus
- 30-85 - - 54
Homo sapiens
- 3.1-884 - - 40-94
Mus musculus
- 3.6 - - -98-87
Rattus norvegicus
- - - - -12-100

Target Conservation

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

Related Entries

Cross References

Resources Reference
ChEBI 91083
ChEMBL CHEMBL276711
DrugBank DB06436
FDA SRS 71IA9S35AJ
Guide to Pharmacology 5056
PDB X2M
PubChem 5329098
SureChEMBL SCHEMBL19571
ZINC ZINC000012410091
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