elagolix

Ligand id: 8362

Name: elagolix

Structure and Physico-chemical Properties

2D Structure
Calculated Physico-chemical Properties
Hydrogen bond acceptors 7
Hydrogen bond donors 2
Rotatable bonds 13
Topological polar surface area 99.18
Molecular weight 631.21
XLogP 7.52
No. Lipinski's rules broken 2

Molecular properties generated using the CDK

Classification
Compound class Synthetic organic
IUPAC Name
4-[[(1R)-2-[5-(2-fluoro-3-methoxyphenyl)-3-[[2-fluoro-6-(trifluoromethyl)phenyl]methyl]-4-methyl-2,6-dioxopyrimidin-1-yl]-1-phenylethyl]amino]butanoic acid
International Nonproprietary Names
INN number INN
8983 elagolix
Synonyms
compound 10b [PMID 19006286] | NBI-56418 | NBI56418
Database Links
CAS Registry No. 834153-87-6
ChEMBL Ligand CHEMBL1208155
PubChem CID 11250647
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Search UniChem for chemical match using the InChIKey HEAUOKZIVMZVQL-VWLOTQADSA-N
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Comments
Elagolix is a non-peptide gonadotrophin receptor (GnRHR) antagonist [1]. Note that some bioactivity data may be generated using the elagolix sodium salt.