GNF-5837   Click here for help

GtoPdb Ligand ID: 8071

Synonyms: GNF 5837 | GNF5837
Compound class: Synthetic organic
Comment: GNF-5837 is an investigational, selective, and orally bioavailable inhibitor of the neurotrophic receptor tyrosine kinases TrkA, TrkB and TrkC [1]. This compound is a useful tool for the investigation of TRK biology in human diseases.
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2D Structure
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Physico-chemical Properties
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Hydrogen bond acceptors 6
Hydrogen bond donors 5
Rotatable bonds 8
Topological polar surface area 98.05
Molecular weight 535.16
XLogP 4.89
No. Lipinski's rules broken 0
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Canonical SMILES O=C(Nc1cc(ccc1F)C(F)(F)F)Nc1ccc(c(c1)Nc1ccc2c(c1)NC(=O)C2=Cc1ccc[nH]1)C
Isomeric SMILES O=C(Nc1cc(ccc1F)C(F)(F)F)Nc1ccc(c(c1)Nc1ccc2c(c1)NC(=O)/C/2=C\c1ccc[nH]1)C
InChI InChI=1S/C28H21F4N5O2/c1-15-4-6-19(35-27(39)37-25-11-16(28(30,31)32)5-9-22(25)29)13-23(15)34-18-7-8-20-21(12-17-3-2-10-33-17)26(38)36-24(20)14-18/h2-14,33-34H,1H3,(H,36,38)(H2,35,37,39)/b21-12-
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Molecular structure representations generated using Open Babel