naloxegol

Ligand id: 7539

Name: naloxegol

Structure and Physico-chemical Properties

2D Structure
Calculated Physico-chemical Properties
Hydrogen bond acceptors 10
Hydrogen bond donors 2
Rotatable bonds 24
Topological polar surface area 126.77
Molecular weight 651.36
XLogP -0.06
No. Lipinski's rules broken 1

Molecular properties generated using the CDK

Classification
Compound class Synthetic organic
Approved drug? Yes (EMA & FDA (2014))
IUPAC Name
(4R,4aS,7S,7aR,12bS)-7-[2-[2-[2-[2-[2-[2-(2-methoxyethoxy)ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]-3-prop-2-enyl-1,2,4,5,6,7,7a,13-octahydro-4,12-methanobenzofuro[3,2-e]isoquinoline-4a,9-diol
International Nonproprietary Names
INN number INN
9434 naloxegol
Synonyms
AZ-13337019 | AZ13337019 | Movantik® | NKTR-118
Database Links
CAS Registry No. 854601-70-0 (source: Scifinder)
ChEMBL Ligand CHEMBL2219418
PubChem CID 56959087
Search Google for chemical match using the InChIKey XNKCCCKFOQNXKV-ZRSCBOBOSA-N
Search Google for chemicals with the same backbone XNKCCCKFOQNXKV
Search PubMed clinical trials naloxegol
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Search UniChem for chemical match using the InChIKey XNKCCCKFOQNXKV-ZRSCBOBOSA-N
Search UniChem for chemicals with the same backbone XNKCCCKFOQNXKV
Wikipedia Naloxegol
Comments
Naloxegol is a PEGylated version of naloxol (α-naloxol PubChem CID 5492271; β-naloxol PubChem CID 5492293). PEGylation reduces the compound's ability to cross the blood-brain barrier, therefore restricting CNS penetration. Naloxegol is termed a peripherally acting μ-opioid receptor antagonist, or PAMORA. The synonyms suffixed with "oxalate " map to the salt as PubChem CID 56959086