compound A34 [PMID: 35635004]   Click here for help

GtoPdb Ligand ID: 12018

Compound class: Synthetic organic
Comment: Compound A34 was reported as a selective FGFR4 inhibitor, with in vitro and in vivo anti-cancer activities [1]. In vitro A34 inhibits both the wild type FGFR4 and the FGFR4V550L mutant (IC50s 5.4 nM and 98.2 nM respectively).
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2D Structure
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SMILES / InChI / InChIKey
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Canonical SMILES CC#CC(=O)Nc1cc(c(cc1N1C[C@H]2C[C@@H]1CO2)OC)c1ncc2c(c1)n(CC)c(=O)c(c2)c1c(Cl)c(OC)cc(c1Cl)OC
Isomeric SMILES [C@H]12OC[C@H](N(C1)c1c(cc(c(c1)OC)c1ncc3cc(c(=O)n(c3c1)CC)c1c(c(cc(c1Cl)OC)OC)Cl)NC(=O)C#CC)C2
InChI InChI=1S/C34H32Cl2N4O6/c1-6-8-30(41)38-24-11-21(27(43-3)13-26(24)40-16-20-10-19(40)17-46-20)23-12-25-18(15-37-23)9-22(34(42)39(25)7-2)31-32(35)28(44-4)14-29(45-5)33(31)36/h9,11-15,19-20H,7,10,16-17H2,1-5H3,(H,38,41)/t19-,20-/m1/s1
InChI Key VDIDNMGZRIMBKL-WOJBJXKFSA-N
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 4 Primary target of this compound Hs Inhibitor Inhibition 8.3 pIC50 - 1
pIC50 8.3 (IC50 5.4x10-9 M) [1]