GNF-5   Click here for help

GtoPdb Ligand ID: 8065

Synonyms: GNF 5 | GNF5
Compound class: Synthetic organic
Comment: GNF-5 is an investigational selective and allosteric BCR-ABL inhibitor [2]. GNF-5 is a pharmacokinetically optimised analogue of GNF-2 (PubChem CID 5311510) [1].
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2D Structure
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Physico-chemical Properties
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Hydrogen bond acceptors 6
Hydrogen bond donors 3
Rotatable bonds 9
Topological polar surface area 96.37
Molecular weight 418.13
XLogP 3.56
No. Lipinski's rules broken 0
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Canonical SMILES OCCNC(=O)c1cccc(c1)c1ncnc(c1)Nc1ccc(cc1)OC(F)(F)F
Isomeric SMILES OCCNC(=O)c1cccc(c1)c1ncnc(c1)Nc1ccc(cc1)OC(F)(F)F
InChI InChI=1S/C20H17F3N4O3/c21-20(22,23)30-16-6-4-15(5-7-16)27-18-11-17(25-12-26-18)13-2-1-3-14(10-13)19(29)24-8-9-28/h1-7,10-12,28H,8-9H2,(H,24,29)(H,25,26,27)
Bioactivity Comments
GNF-5 can largely overcome the resistance pattern associated with imatinib or nilotinib treatment (except for the gatekeeper mutation T315I). In fact, co-treatment with GNF-2 (GNF-5's original structural incarnation) plus imatinib significantly decreases the emergence of resistant clones in vitro [2].
Selectivity at enzymes
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Target Sp. Type Action Value Parameter Concentration range (M) Reference
ABL proto-oncogene 1, non-receptor tyrosine kinase Primary target of this compound Hs Inhibitor Inhibition 6.7 pIC50 - 2
pIC50 6.7 (IC50 2.2x10-7 M) [2]
Description: Inhibition of wild-type Abl in vitro.