imlunestrant   Click here for help

GtoPdb Ligand ID: 12896

Synonyms: Example 1B {WO2020014435A1] | LY-3484356 | LY3484356
Compound class: Synthetic organic
Comment: Imlunestrant (LY3484356) is an oral, selective estrogen receptor degrader (SERD) [2-3]. It is an ER antagonist that inudces a sustained inhibition of ER-mediated gene transcription and tumour growth in ER+ve breast and endometrial cancers. The INN stipulates the (5R) configuration of the molecule.
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2D Structure
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Physico-chemical Properties
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Hydrogen bond acceptors 5
Hydrogen bond donors 1
Rotatable bonds 7
Topological polar surface area 54.29
Molecular weight 524.51
XLogP 2.58
No. Lipinski's rules broken 1
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Canonical SMILES C1=C(C=CC(=C1)OCCN2CC(CF)C2)[C@@H]3C4=C5C=CC(=CC5=NC=C4C6=C(C=C(C=C6)C(F)(F)F)O3)O
Isomeric SMILES C1C(CN1CCOC2=CC=C(C=C2)[C@@H]3C4=C5C=CC(=CC5=NC=C4C6=C(O3)C=C(C=C6)C(F)(F)F)O)CF
InChI InChI=1S/C29H24F4N2O3/c30-13-17-15-35(16-17)9-10-37-21-5-1-18(2-6-21)28-27-23-8-4-20(36)12-25(23)34-14-24(27)22-7-3-19(29(31,32)33)11-26(22)38-28/h1-8,11-12,14,17,28,36H,9-10,13,15-16H2/t28-/m1/s1
Classification Click here for help
Compound class Synthetic organic
IUPAC Name Click here for help
International Nonproprietary Names Click here for help
INN number INN
12039 imlunestrant
Synonyms Click here for help
Example 1B {WO2020014435A1] | LY-3484356 | LY3484356
Database Links Click here for help
BindingDB Ligand 443429
CAS Registry No. 2408840-26-4 (source: WHO INN record)
ChEMBL Ligand CHEMBL5095183
GtoPdb PubChem SID 485206017
PubChem CID 146603228
Search Google for chemical match using the InChIKey UVBQMXOKKDCBJN-MUUNZHRXSA-N
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UniChem Compound Search for chemical match using the InChIKey UVBQMXOKKDCBJN-MUUNZHRXSA-N
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