linifanib   Click here for help

GtoPdb Ligand ID: 5657

Synonyms: ABT 869 | ABT-869
Compound class: Synthetic organic
Comment: Linifanib is a potent, orally active inhibitor of several receptor tyrosine kinases (RTKs), with principal targets being FLT3, CSF1R and VEGFR2.
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2D Structure
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Physico-chemical Properties
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Hydrogen bond acceptors 5
Hydrogen bond donors 4
Rotatable bonds 5
Topological polar surface area 95.83
Molecular weight 375.15
XLogP 4.65
No. Lipinski's rules broken 0
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Canonical SMILES O=C(Nc1cc(C)ccc1F)Nc1ccc(cc1)c1cccc2c1c(N)n[nH]2
Isomeric SMILES O=C(Nc1cc(C)ccc1F)Nc1ccc(cc1)c1cccc2c1c(N)n[nH]2
InChI InChI=1S/C21H18FN5O/c1-12-5-10-16(22)18(11-12)25-21(28)24-14-8-6-13(7-9-14)15-3-2-4-17-19(15)20(23)27-26-17/h2-11H,1H3,(H3,23,26,27)(H2,24,25,28)
Classification Click here for help
Compound class Synthetic organic
IUPAC Name Click here for help
International Nonproprietary Names Click here for help
INN number INN
9195 linifanib
Synonyms Click here for help
ABT 869 | ABT-869
Database Links Click here for help
Specialist databases
Reactome Drug Reactome logo R-ALL-9702979
Reactome Reaction Reactome logo R-HSA-9702508, R-HSA-9695828, R-HSA-9702997
Other databases
CAS Registry No. 796967-16-3
ChEMBL Ligand CHEMBL223360
GtoPdb PubChem SID 178102285
PubChem CID 11485656
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Wikipedia Linifanib