zoligratinib   Click here for help

GtoPdb Ligand ID: 9787

Synonyms: CH5183284 | DEBIO-1347 | DEBIO1347
PDB Ligand
Compound class: Synthetic organic
Comment: Zoligratinib (DEBIO1347) is a FGFR1/2/3 inhibitor that is being investigated for antineoplastic activity [1]. The compound is ATP-competitive, potent and orally available.
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2D Structure
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Physico-chemical Properties
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Hydrogen bond acceptors 4
Hydrogen bond donors 3
Rotatable bonds 3
Topological polar surface area 104.86
Molecular weight 356.14
XLogP 3.44
No. Lipinski's rules broken 0
SMILES / InChI / InChIKey
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Canonical SMILES Cc1nc2c([nH]1)cc(cc2)n1ncc(c1N)C(=O)c1cc2c([nH]1)cccc2
Isomeric SMILES Cc1nc2c([nH]1)cc(cc2)n1ncc(c1N)C(=O)c1cc2c([nH]1)cccc2
InChI InChI=1S/C20H16N6O/c1-11-23-16-7-6-13(9-17(16)24-11)26-20(21)14(10-22-26)19(27)18-8-12-4-2-3-5-15(12)25-18/h2-10,25H,21H2,1H3,(H,23,24)
InChI Key BEMNJULZEQTDJY-UHFFFAOYSA-N
Bioactivity Comments
DEBIO347 inhibits FGFR1, -2, and -3 but does not inhibit kinase insert domain receptor (KDR) or other kinases [1]. It preferentially kills FGFR deranged cancer cells (compared to cells with normal FGFRs) in vitro and in vivo.
Selectivity at catalytic receptors
Key to terms and symbols Click column headers to sort
Target Sp. Type Action Value Parameter Concentration range (M) Reference
fibroblast growth factor receptor 2 Hs Inhibitor Inhibition 8.1 pIC50 - 1
pIC50 8.1 (IC50 7.6x10-9 M) [1]
fibroblast growth factor receptor 1 Hs Inhibitor Inhibition 8.0 pIC50 - 1
pIC50 8.0 (IC50 9.2x10-9 M) [1]
fibroblast growth factor receptor 3 Hs Inhibitor Inhibition 7.7 pIC50 - 1
pIC50 7.7 (IC50 2.2x10-8 M) [1]
fibroblast growth factor receptor 4 Hs Inhibitor Inhibition 6.5 pIC50 - 1
pIC50 6.5 (IC50 2.9x10-7 M) [1]
platelet derived growth factor receptor beta Hs Inhibitor Inhibition 6.3 pIC50 - 1
pIC50 6.3 (IC50 5.6x10-7 M) [1]