selpercatinib   Click here for help

GtoPdb Ligand ID: 10318

Synonyms: example 163 [WO2018071447A1] | LOXO-292 | LOXO292 | LY3527723 | Retevmo®
Approved drug
selpercatinib is an approved drug (FDA (2020), EMA (2021))
Compound class: Synthetic organic
Comment: Selpercatinib (LOXO-292) is a potent, selective and orally bioavailable ATP-competitive RET kinase inhibitor that was developed by Loxo Oncology. It inhibits wild-type RET, RET fusions,and RET carrying activating mutations and acquired resistance mutations [3]. This reference by Subbiah et al. contains preclinical and proof-of-concept data for LOXO-292. This compound was rationally designed to offer a novel therapeutic option for heavily pretreated, multikinase inhibitor-experienced patients whose tumours carry diverse RET alterations.
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2D Structure
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Physico-chemical Properties
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Hydrogen bond acceptors 7
Hydrogen bond donors 1
Rotatable bonds 8
Topological polar surface area 112.04
Molecular weight 525.25
XLogP 4.01
No. Lipinski's rules broken 0
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Canonical SMILES N#Cc1cnn2c1c(cc(c2)OCC(O)(C)C)c1ccc(nc1)N1CC2CC(C1)N2Cc1ccc(nc1)OC
Isomeric SMILES N#Cc1cnn2c1c(cc(c2)OCC(O)(C)C)c1ccc(nc1)N1CC2CC(C1)N2Cc1ccc(nc1)OC
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
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
10967 selpercatinib
Synonyms Click here for help
example 163 [WO2018071447A1] | LOXO-292 | LOXO292 | LY3527723 | Retevmo®
Database Links Click here for help
DrugCentral Ligand 5393
GtoPdb PubChem SID 381744999
PubChem CID 134436906
Search Google for chemical match using the InChIKey XIIOFHFUYBLOLW-UHFFFAOYSA-N
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UniChem Compound Search for chemical match using the InChIKey XIIOFHFUYBLOLW-UHFFFAOYSA-N
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