alofanib   Click here for help

GtoPdb Ligand ID: 11622

Synonyms: RPT-835 | RPT835
Compound class: Synthetic organic
Comment: Alofanib (RPT835) is an allosteric inhibitor of the receptor tyrosine kinase, fibroblast growth factor receptor 2 (FGFR2) [1-4]. It inhibits phosphorylation of FGF receptor substrate 2α (FRS2α), but does not block FGF2-FGFR2 binding. Alofanib inhibits angiogenesis and was developed for antitumour potential.
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2D Structure
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Physico-chemical Properties
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Hydrogen bond acceptors 6
Hydrogen bond donors 2
Rotatable bonds 6
Topological polar surface area 147.88
Molecular weight 413.07
XLogP 4.21
No. Lipinski's rules broken 0
SMILES / InChI / InChIKey
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Canonical SMILES [O-][N+](=O)c1cc(C)c(cc1NS(=O)(=O)c1cccc(c1)C(=O)O)c1cccnc1
Isomeric SMILES [O-][N+](=O)c1cc(C)c(cc1NS(=O)(=O)c1cccc(c1)C(=O)O)c1cccnc1
InChI InChI=1S/C19H15N3O6S/c1-12-8-18(22(25)26)17(10-16(12)14-5-3-7-20-11-14)21-29(27,28)15-6-2-4-13(9-15)19(23)24/h2-11,21H,1H3,(H,23,24)
InChI Key QUQGQIASFYWKAB-UHFFFAOYSA-N
Classification Click here for help
Compound class Synthetic organic
International Nonproprietary Names Click here for help
INN number INN
10171 alofanib
Synonyms Click here for help
RPT-835 | RPT835
Database Links Click here for help
CAS Registry No. 1612888-66-0 (source: WHO INN record)
ChEMBL Ligand CHEMBL4594436
GtoPdb PubChem SID 442878656
PubChem CID 86280646
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