Drugs Information: Selpercatinib

Basic Information

ID DDInter1658
Drug Type small molecule
Molecular Formula C29H31N7O3
Molecular Weight 525.613
Description Selpercatinib is a RET receptor tyrosine kinase inhibitor for the treatment of RET-driven non-small cell lung cancer, medullary thyroid cancer, and thyroid cancer in appropriate patient populations.
ATC Classification -
IUPAC Name 6-(2-Hydroxy-2-Methylpropoxy)-4-(6-{6-[(6-Methoxypyridin-3-Yl)Methyl]-3,6-Diazabicyclo[3.1.1]Heptan-3-Yl}Pyridin-3-Yl)Pyrazolo[1
InChI Inchi=1S/C29H31N7O3/C1-29(2,37)18-39-24-9-25(28-21(10-30)13-33-36(28)17-24)20-5-6-26(31-12-20)34-15-22-8-23(16-34)35(22)14-19-4-7-27(38-3)32-11-19/H4-7,9,11-13,17,22-23,37H,8,14-16,18H2,1-3H3
InChI Key XIIOFHFUYBLOLW-UHFFFAOYSA-N
Canonical SMILES COC1=NC=C(CN2C3CC2CN(C3)C2=CC=C(C=N2)C2=CC(OCC(C)(C)O)=CN3N=CC(C#N)=C23)C=C1
Useful Links DrugBank

Interactions with Selpercatinib

Severity level ID Name Mechanism Detail