infigratinib   Click here for help

GtoPdb Ligand ID: 7877

Synonyms: BGJ 398 | BGJ-398 | BGJ398 | NVP-BGJ398 | Truseltiq®
Approved drug PDB Ligand
infigratinib is an approved drug (FDA (2021))
Compound class: Synthetic organic
Comment: The discovery and synthesis of infigratinib (BGJ-398) is described in [2], where it is compound 1h. It is an orally bioavailable, ATP-competitive pan inhibitor of human fibroblast growth factor receptors (FGFRs) with potential antiangiogenic and antineoplastic activities [2].
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2D Structure
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Physico-chemical Properties
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Hydrogen bond acceptors 8
Hydrogen bond donors 2
Rotatable bonds 10
Topological polar surface area 95.09
Molecular weight 559.19
XLogP 4.47
No. Lipinski's rules broken 0
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Canonical SMILES CCN1CCN(CC1)c1ccc(cc1)Nc1ncnc(c1)N(C(=O)Nc1c(Cl)c(OC)cc(c1Cl)OC)C
Isomeric SMILES CCN1CCN(CC1)c1ccc(cc1)Nc1ncnc(c1)N(C(=O)Nc1c(Cl)c(OC)cc(c1Cl)OC)C
InChI InChI=1S/C26H31Cl2N7O3/c1-5-34-10-12-35(13-11-34)18-8-6-17(7-9-18)31-21-15-22(30-16-29-21)33(2)26(36)32-25-23(27)19(37-3)14-20(38-4)24(25)28/h6-9,14-16H,5,10-13H2,1-4H3,(H,32,36)(H,29,30,31)
Classification Click here for help
Compound class Synthetic organic
Approved drug? Yes (FDA (2021))
Withdrawn drug? Yes
IUPAC Name Click here for help
International Nonproprietary Names Click here for help
INN number INN
10032 infigratinib
Synonyms Click here for help
BGJ 398 | BGJ-398 | BGJ398 | NVP-BGJ398 | Truseltiq®
Database Links Click here for help
Specialist databases
Reactome Drug Reactome logo R-ALL-2038925
Reactome Reaction Reactome logo R-HSA-2077420, R-HSA-2077424, R-HSA-2023462, R-HSA-2029992
Other databases
CAS Registry No. 872511-34-7
ChEMBL Ligand CHEMBL1852688
DrugCentral Ligand 5459
GtoPdb PubChem SID 223366206
PubChem CID 53235510
RCSB PDB Ligand 07J
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SynPHARM 80719 (in complex with fibroblast growth factor receptor 1)
UniChem Compound Search for chemical match using the InChIKey QADPYRIHXKWUSV-UHFFFAOYSA-N
UniChem Connectivity Search for chemical match using the InChIKey QADPYRIHXKWUSV-UHFFFAOYSA-N