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
SMILES / InChI / InChIKey
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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)
InChI Key QADPYRIHXKWUSV-UHFFFAOYSA-N
Classification Click here for help
Compound class Synthetic organic
Approved drug? Yes (FDA (2021))
IUPAC Name Click here for help
3-(2,6-dichloro-3,5-dimethoxyphenyl)-1-[6-[4-(4-ethylpiperazin-1-yl)anilino]pyrimidin-4-yl]-1-methylurea
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
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)