ERDAFITINIB

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Trade Names
Synonyms
Status
Molecule Category Free-form
ATC L01EX16
UNII 890E37NHMV

Structure

InChI Key OLAHOMJCDNXHFI-UHFFFAOYSA-N
Smiles COc1cc(OC)cc(N(CCNC(C)C)c2ccc3ncc(-c4cnn(C)c4)nc3c2)c1
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

Physicochemical Descriptors

Property Name Value
Molecular Formula C25H30N6O2
Molecular Weight 446.56
AlogP 4.18
Hydrogen Bond Acceptor 8.0
Hydrogen Bond Donor 1.0
Number of Rotational Bond 9.0
Polar Surface Area 77.33
Molecular species BASE
Aromatic Rings 4.0
Heavy Atoms 33.0

Pharmacology

Mechanism of Action Action Reference
Fibroblast growth factor receptor 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
- 1.2-5.7 - - -
Enzyme Kinase Protein Kinase TK protein kinase group Tyrosine protein kinase VEGFR family
- 0.1-37 - - -
EC50(nM) IC50(nM) Kd(nM) Ki(nM) Inhibition(%)
Homo sapiens
- 1.2-37 - - -
Mus musculus
- 0.1 - - -

Target Conservation

Protein: Fibroblast growth factor receptor
Description: Fibroblast growth factor receptor 1
Organism : Homo sapiens
P11362 ENSG00000077782
Protein: Fibroblast growth factor receptor
Description: Fibroblast growth factor receptor 2
Organism : Homo sapiens
P21802 ENSG00000066468
Protein: Fibroblast growth factor receptor
Description: Fibroblast growth factor receptor 4
Organism : Homo sapiens
P22455 ENSG00000160867
Protein: Fibroblast growth factor receptor
Description: Fibroblast growth factor receptor 3
Organism : Homo sapiens
P22607 ENSG00000068078

Cross References

Resources Reference
ChEMBL CHEMBL3545376
DrugBank DB12147
DrugCentral 5327
FDA SRS 890E37NHMV
Guide to Pharmacology 9039
PDB 5SF
PubChem 67462786
SureChEMBL SCHEMBL2583760
ZINC ZINC000168520308
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