OSIMERTINIB MESYLATE

Search structure
Synonyms:
Status: Approved (2015)
Entry Type: Small molecule
Molecule Category: UNKNOWN
UNII: RDL94R2A16

Structure
InChI Key FUKSNUHSJBTCFJ-UHFFFAOYSA-N
Smile C=CC(=O)Nc1cc(Nc2nccc(-c3cn(C)c4ccccc34)n2)c(OC)cc1N(C)CCN(C)C.CS(=O)(=O)O
InChI
InChI=1S/C28H33N7O2.CH4O3S/c1-7-27(36)30-22-16-23(26(37-6)17-25(22)34(4)15-14-33(2)3)32-28-29-13-12-21(31-28)20-18-35(5)24-11-9-8-10-19(20)24;1-5(2,3)4/h7-13,16-18H,1,14-15H2,2-6H3,(H,30,36)(H,29,31,32);1H3,(H,2,3,4)

Physicochemical Descriptors

Property Name Value
Molecular Formula C29H37N7O5S
Molecular Weight 595.73
AlogP 4.51
Hydrogen Bond Acceptor 8.0
Hydrogen Bond Donor 2.0
Number of Rotational Bond 10.0
Polar Surface Area 87.55
Molecular species BASE
Aromatic Rings 4.0
Heavy Atoms 37.0

Pharmacology

Action Mechanism of Action Reference
INHIBITOR Epidermal growth factor receptor erbB1 inhibitor DailyMed PubMed PubMed

Indications

Mesh Heading Maximum Phase Mesh ID Reference

Cross References

Resources Reference
ChEBI 90948
ChEMBL CHEMBL3545063
FDA SRS RDL94R2A16
SureChEMBL SCHEMBL14661152
CONTENTS