pemigatinib   Click here for help

GtoPdb Ligand ID: 9767

Synonyms: example 126 [WO2014007951] | INCB 54828 | INCB-54828 | INCB054828 | INCB54828 | Pemazyre®
Approved drug PDB Ligand
pemigatinib is an approved drug (FDA (2020), EMA (2021))
Compound class: Synthetic organic
Comment: Pemigatinib (INCB54828) is a FGFR inhibitor claimed in Incyte Corporation's patent WO2014007951 [3]. It is equipotent at FGFR subtypes 1-3 [3].
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2D Structure
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Physico-chemical Properties
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Hydrogen bond acceptors 6
Hydrogen bond donors 1
Rotatable bonds 6
Topological polar surface area 83.16
Molecular weight 487.2
XLogP 2.02
No. Lipinski's rules broken 0
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Canonical SMILES CCN1C(=O)N(Cc2c1c1cc([nH]c1nc2)CN1CCOCC1)c1c(F)c(OC)cc(c1F)OC
Isomeric SMILES CCN1C(=O)N(Cc2c1c1cc([nH]c1nc2)CN1CCOCC1)c1c(F)c(OC)cc(c1F)OC
InChI InChI=1S/C24H27F2N5O4/c1-4-30-21-14(11-27-23-16(21)9-15(28-23)13-29-5-7-35-8-6-29)12-31(24(30)32)22-19(25)17(33-2)10-18(34-3)20(22)26/h9-11H,4-8,12-13H2,1-3H3,(H,27,28)
Classification Click here for help
Compound class Synthetic organic
Approved drug? Yes (FDA (2020), EMA (2021))
IUPAC Name Click here for help
International Nonproprietary Names Click here for help
INN number INN
10712 pemigatinib
Synonyms Click here for help
example 126 [WO2014007951] | INCB 54828 | INCB-54828 | INCB054828 | INCB54828 | Pemazyre®
Database Links Click here for help
CAS Registry No. 1513857-77-6 (source: WHO INN record)
DrugCentral Ligand 5390
GtoPdb PubChem SID 354702240
PubChem CID 86705695
RCSB PDB Ligand 8ZF, 8ZF
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UniChem Compound Search for chemical match using the InChIKey HCDMJFOHIXMBOV-UHFFFAOYSA-N
UniChem Connectivity Search for chemical match using the InChIKey HCDMJFOHIXMBOV-UHFFFAOYSA-N