General Information of the Compound
| Compound ID |
CP0010193
|
||||||||||||||||||
|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|
| Compound Name |
AG-013736
Show/Hide
|
||||||||||||||||||
| Synonyms |
AG 013736
AG-013736
AG-013736, Axitinib
AG-13736
AG013736
Axitinib
Axitinib (VEGFR inhibitor)
Indazole derivative 5
N-methyl-2-((3-((1E)-2-(pyridin-2-yl)ethenyl)-1H-indazol-6-yl)sulfanyl)benzamide
N-methyl-2-[[3-[(E)-2-pyridin-2-ylethenyl]-1H-indazol-6-yl]sulfanyl]benzamide
PMID25656651-Compound-35
Show/Hide
|
||||||||||||||||||
| Structure |
|
||||||||||||||||||
| Formula |
C22H18N4OS
|
||||||||||||||||||
| Molecular Weight |
386.48
|
||||||||||||||||||
| Canonical SMILES |
CNC(=O)c1ccccc1Sc1ccc2c(\C=C\c3ccccn3)n[nH]c2c1
Show/Hide
|
||||||||||||||||||
| InChI |
InChI=1S/C22H18N4OS/c1-23-22(27)18-7-2-3-8-21(18)28-16-10-11-17-19(25-26-20(17)14-16)12-9-15-6-4-5-13-24-15/h2-14H,1H3,(H,23,27)(H,25,26)/b12-9+
Show/Hide
|
||||||||||||||||||
| InChIKey |
RITAVMQDGBJQJZ-FMIVXFBMSA-N
|
||||||||||||||||||
| CAS |
319460-85-0
790713-39-2
|
||||||||||||||||||
| Physicochemical Property |
"RO5" indicates the cutoff set by lipinski's rule of five: (1) Molecular weight less than 500 Dalton; (2) xlogp less than 5; (3) No more than 5 hbonddonor (Hydrogen Bond Donor Count); (4) No more than 10 hbondacc (Hydrogen Bond Acceptor Count); (5) No more than 10 rotbonds (Rotatable Bond Count). Show/Hide
|
||||||||||||||||||
| Click to Show/Hide the External Link(s) of This Compound | |||||||||||||||||||
| PubChem ID | |||||||||||||||||||
| ChEMBL ID | |||||||||||||||||||
| DrugBank ID | |||||||||||||||||||
Map of Molecular Bioactivity Related to the Compound
|
Map of Molecular Bioactivity Related to the Compound Compound Cell Line Protein Bioactivity Value: <= 0.1 μM > 0.1 μM and <= 10 μM > 10 μM Imprecise Activity |
|
|---|
Table of Molecular Bioactivities Related to the Compound
Protein ID: PT00888, Mast/stem cell growth factor receptor Kit
Cell-based Assay
Protein ID: PT01071, Tyrosine-protein kinase ABL1
Cell-based Assay
Protein ID: PT00864, Vascular endothelial growth factor receptor 2
Cell Viability or Cytotoxicity Assay
Clinical Information about the Compound
Drug 1 ( Axitinib )
| Drug Name | Axitinib | ||
|---|---|---|---|
| Company | Pfizer | ||
| Indication | |||
| Target(s) |
Vascular endothelial growth factor receptor 2 (KDR)
Modulator
|
||