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
Classification Click here for help
Compound class Synthetic organic
Approved drug? Yes (FDA (2019))
IUPAC Name Click here for help
International Nonproprietary Names Click here for help
INN number INN
10147 erdafitinib
Synonyms Click here for help
Balversa® | compound 4 [WO2011135376] [3] | JNJ 42756493 | JNJ-42756493 | JNJ42756493
Database Links Click here for help
DrugCentral Ligand 5327
GtoPdb PubChem SID 315661124
PubChem CID 67462786
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UniChem Compound Search for chemical match using the InChIKey OLAHOMJCDNXHFI-UHFFFAOYSA-N
UniChem Connectivity Search for chemical match using the InChIKey OLAHOMJCDNXHFI-UHFFFAOYSA-N