PEMIGATINIB

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Synonyms
Status
Molecule Category Free-form
ATC L01EX20
UNII Y6BX7BL23K

Structure

InChI Key HCDMJFOHIXMBOV-UHFFFAOYSA-N
Smiles CCN1C(=O)N(c2c(F)c(OC)cc(OC)c2F)Cc2cnc3[nH]c(CN4CCOCC4)cc3c21
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)

Physicochemical Descriptors

Property Name Value
Molecular Formula C24H27F2N5O4
Molecular Weight 487.51
AlogP 3.66
Hydrogen Bond Acceptor 6.0
Hydrogen Bond Donor 1.0
Number of Rotational Bond 6.0
Polar Surface Area 83.16
Molecular species NEUTRAL
Aromatic Rings 3.0
Heavy Atoms 35.0

Pharmacology

Mechanism of Action Action Reference
Fibroblast growth factor receptor 1 inhibitor INHIBITOR FDA
Targets EC50(nM) IC50(nM) Kd(nM) Ki(nM) Inhibition(%)
Enzyme Kinase Protein Kinase TK protein kinase group Tyrosine protein kinase FGFR family
- 0.4-30 - - -
Ion channel Voltage-gated ion channel Potassium channels Voltage-gated potassium channel
- - - - 9
EC50(nM) IC50(nM) Kd(nM) Ki(nM) Inhibition(%)
Homo sapiens
- 0.4-30 - - 9
Mus musculus
- 22 - - -

Target Conservation

Protein: Fibroblast growth factor receptor 1
Description: Fibroblast growth factor receptor 1
Organism : Homo sapiens
P11362 ENSG00000077782
Protein: Fibroblast growth factor receptor 2
Description: Fibroblast growth factor receptor 2
Organism : Homo sapiens
P21802 ENSG00000066468
Protein: Fibroblast growth factor receptor 3
Description: Fibroblast growth factor receptor 3
Organism : Homo sapiens
P22607 ENSG00000068078

Cross References

Resources Reference
ChEMBL CHEMBL4297522
DrugBank DB15102
DrugCentral 5390
FDA SRS Y6BX7BL23K
Guide to Pharmacology 9767
PubChem 86705695
SureChEMBL SCHEMBL15556271
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