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
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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
1. Nishina T, Takahashi S, Iwasawa R, Noguchi H, Aoki M, Doi T. (2018)
Safety, pharmacokinetic, and pharmacodynamics of erdafitinib, a pan-fibroblast growth factor receptor (FGFR) tyrosine kinase inhibitor, in patients with advanced or refractory solid tumors.
Invest New Drugs, 36 (3): 424-434. [PMID:28965185]
2. Perera TPS, Jovcheva E, Mevellec L, Vialard J, De Lange D, Verhulst T, Paulussen C, Van De Ven K, King P, Freyne E et al.. (2017)
Discovery and Pharmacological Characterization of JNJ-42756493 (Erdafitinib), a Functionally Selective Small-Molecule FGFR Family Inhibitor.
Mol Cancer Ther, 16 (6): 1010-1020. [PMID:28341788]
3. Saxty G, Murray CW, Berdini V, Besong GE, Hamlett CCF, Johnson CN, Woodhead SJ, Reader M, Rees DC, Mevellec LA et al.. (2011)
Pyrazolyl quinazoline kinase inhibitors.
Patent number: WO2011135376 A1. Assignee: Astex Therapeutics Limited. Priority date: 30/04/2010. Publication date: 03/11/2011.
4. (2018)
Erdafitinib Efficacious in Bladder Cancer.
Cancer Discov, 8 (8): OF6. [PMID:29950346]