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
SMILES / InChI / InChIKey
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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)
InChI Key MPVGZUGXCQEXTM-UHFFFAOYSA-N
Classification Click here for help
Compound class Synthetic organic
IUPAC Name Click here for help
1-[4-(3-amino-1H-indazol-4-yl)phenyl]-3-(2-fluoro-5-methylphenyl)urea
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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