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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Ligand Activity Visualisation Charts

These are box plot that provide a unique visualisation, summarising all the activity data for a ligand taken from ChEMBL and GtoPdb across multiple targets and species. Click on a plot to see the median, interquartile range, low and high data points. A value of zero indicates that no data are available. A separate chart is created for each target, and where possible the algorithm tries to merge ChEMBL and GtoPdb targets by matching them on name and UniProt accession, for each available species. However, please note that inconsistency in naming of targets may lead to data for the same target being reported across multiple charts.

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View interactive charts of activity data across species
2D Structure
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2D Structure

An image of the ligand's 2D structure. For small molecules with SMILES these are drawn using the NCI/CADD Chemical Identifier Resolver. Click on the image to access the chemical structure search tool with the ligand pre-loaded in the structure editor. For other types of ligands, e.g. longer nucleotides and peptides, a manually drawn representation of the molecule may be provided.

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Physico-chemical Properties
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Physico-chemical Properties

Calculated molecular properties are available for small molecules and natural products (not peptides). Properties were generated using the CDK toolkit. All properties were selected to enable the prediction of the Lipinski Rule-of-Five profile or ‘druglikeness’ for each ligand. For more info on each category see the help pages.

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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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SMILES / InChI / InChIKey

SMILES (Simplified Molecular Input Line Entry Specification) A specification for unambiguously describing the structure of chemical molecules using short ASCII strings. Canonical SMILES specify a unique representation of the 2D structure without chiral or isotopic specifications. Isomeric SMILES include chiral specification and isotopes.

Standard InChI (IUPAC International Chemical Identifier) and InChIKey InChI is a non-proprietary, standard, textual identifier for chemical substances designed to facilitate linking of information and database searching. An InChIKey is a simplified version of a full InChI, designed for easier web searching.

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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
No information available.
Summary of Clinical Use Click here for help
Erdafitinib was granted FDA approval in April 2019, as a treatment for patients with locally advanced/metastatic bladder cancer (urothelial carcinoma) that carries FGFR2/3 genetic alterations, and that has progressed following treatment with platinum-based chemotherapy. In clinical trial, responses to erdafitinib were observed in patients who had previously not responded to anti-PD-L1/PD-1 checkpoint inhibitor immunotherapy [4].
Clinical Trials
Clinical Trial ID Title Type Source Comment References
NCT03390504 A Study of Erdafitinib Compared With Vinflunine or Docetaxel or Pembrolizumab in Participants With Advanced Urothelial Cancer and Selected Fibroblast Growth Factor Receptor (FGFR) Gene Aberrations Phase 3 Interventional Janssen Research & Development, LLC This study (THOR) is designed to prospectively compare outcomes in patients with advanced FGFR-altered metastatic urothelial carcinoma treated with erdafitinib compared to those treated with investigator's choice of chemotherapy (including ). Data supporting the use of erdafitinib after pembrolizumab was presented at the 2023 ASCO Annual Meeting II [...].