pazopanib   

GtoPdb Ligand ID: 5698

Synonyms: GW 786034 | indazolylpyrimidine 13 [4] | Votrient®
pazopanib is an approved drug (FDA (2009), EMA (2010))
Compound class: Synthetic organic
Comment: Pazopanib is a Type-1 kinase inhibitor. Its discovery is reported in [5]. It targets multiple receptor tyrosine kinases (VEGFR1, VEGFR2, VEGFR3, PDGFRβ, FGFR1, Kit and CSF1R).
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2D Structure
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Physico-chemical Properties
Hydrogen bond acceptors 8
Hydrogen bond donors 2
Rotatable bonds 5
Topological polar surface area 127.41
Molecular weight 437.16
XLogP 3.34
No. Lipinski's rules broken 0
SMILES / InChI / InChIKey
Canonical SMILES CN(c1ccc2c(c1)nn(c2C)C)c1ccnc(n1)Nc1ccc(c(c1)S(=O)(=O)N)C
Isomeric SMILES CN(c1ccc2c(c1)nn(c2C)C)c1ccnc(n1)Nc1ccc(c(c1)S(=O)(=O)N)C
InChI InChI=1S/C21H23N7O2S/c1-13-5-6-15(11-19(13)31(22,29)30)24-21-23-10-9-20(25-21)27(3)16-7-8-17-14(2)28(4)26-18(17)12-16/h5-12H,1-4H3,(H2,22,29,30)(H,23,24,25)
InChI Key CUIHSIWYWATEQL-UHFFFAOYSA-N
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InChI standard key Download

Molecular structure representations generated using Open Babel