erdafitinib   Click here for help

GtoPdb Ligand ID: 9039

Synonyms: Balversa® | compound 4 [WO2011135376] [3] | JNJ 42756493 | JNJ-42756493 | JNJ42756493
Approved drug PDB Ligand
erdafitinib is an approved drug (FDA (2019))
Compound class: Synthetic organic
Comment: Erdafitinib is a pan-fibroblast growth factor receptor (FGFRs 1-4) tyrosine kinase inhibitor [1-3]. It is the first targeted drug to be approved for advanced bladder cancer.
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2D Structure
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Physico-chemical Properties
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Hydrogen bond acceptors 5
Hydrogen bond donors 1
Rotatable bonds 9
Topological polar surface area 77.33
Molecular weight 446.24
XLogP 3.59
No. Lipinski's rules broken 0
SMILES / InChI / InChIKey
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Canonical SMILES COc1cc(OC)cc(c1)N(c1ccc2c(c1)nc(cn2)c1cnn(c1)C)CCNC(C)C
Isomeric SMILES COc1cc(OC)cc(c1)N(c1ccc2c(c1)nc(cn2)c1cnn(c1)C)CCNC(C)C
InChI InChI=1S/C25H30N6O2/c1-17(2)26-8-9-31(20-10-21(32-4)13-22(11-20)33-5)19-6-7-23-24(12-19)29-25(15-27-23)18-14-28-30(3)16-18/h6-7,10-17,26H,8-9H2,1-5H3
InChI Key OLAHOMJCDNXHFI-UHFFFAOYSA-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 1 Hs Inhibitor Inhibition 8.9 pIC50 - 3
pIC50 8.9 (IC50 1.14x10-9 M) [3]
fibroblast growth factor receptor 2 Hs Inhibitor Inhibition 8.6 pIC50 - 3
pIC50 8.6 (IC50 2.29x10-9 M) [3]
fibroblast growth factor receptor 3 Hs Inhibitor Inhibition 8.5 pIC50 - 3
pIC50 8.5 (IC50 3.02x10-9 M) [3]
fibroblast growth factor receptor 4 Hs Inhibitor Inhibition 8.3 pIC50 - 3
pIC50 8.3 (IC50 5.62x10-9 M) [3]
kinase insert domain receptor Hs Inhibitor Inhibition 7.4 pIC50 - 3
pIC50 7.4 (IC50 3.63x10-8 M) [3]