CHEBI:82975 - naloxegol

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ChEBI Name naloxegol
ChEBI ID CHEBI:82975
Definition An organic heteropentacyclic compound that is naloxone in which the keto group is replaced by a PEG moiety. Used for treatment of opioid-induced constipation.
Stars This entity has been manually annotated by the ChEBI Team.
Submitter Toni Morrison
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Formula C34H53NO11
Net Charge 0
Average Mass 651.78470
Monoisotopic Mass 651.362
InChI InChI=1S/C34H53NO11/c1-3-9-35-10-8-33-30-26-4-5-27(36)31(30)46-32(33)28(6-7-34(33,37)29(35)25-26)45-24-23-44-22-21-43-20-19-42-18-17-41-16-15-40-14-13-39-12-11-38-2/h3-5,28-29,32,36-37H,1,6-25H2,2H3/t28-,29+,32-,33-,34+/m0/s1
InChIKey XNKCCCKFOQNXKV-ZRSCBOBOSA-N
SMILES COCCOCCOCCOCCOCCOCCOCCO[C@H]1CC[C@@]2(O)[C@H]3Cc4ccc(O)c5O[C@@H]1[C@]2(CCN3CC=C)c45
Roles Classification
Biological Role(s): mu-opioid receptor antagonist

cathartic
Any substance that accelerates defecation. Compare with laxatives, which are substances that ease defecation (usually by softening faeces). A substance can be both a laxative and a cathartic.
Application(s): mu-opioid receptor antagonist

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ChEBI Ontology
Outgoing naloxegol (CHEBI:82975) has functional parent naloxone (CHEBI:7459)
naloxegol (CHEBI:82975) has parent hydride morphinan (CHEBI:35649)
naloxegol (CHEBI:82975) has role μ-opioid receptor antagonist (CHEBI:50137)
naloxegol (CHEBI:82975) has role cathartic (CHEBI:75325)
naloxegol (CHEBI:82975) is a aromatic ether (CHEBI:35618)
naloxegol (CHEBI:82975) is a organic heteropentacyclic compound (CHEBI:38164)
naloxegol (CHEBI:82975) is a phenols (CHEBI:33853)
naloxegol (CHEBI:82975) is a polyether (CHEBI:46774)
naloxegol (CHEBI:82975) is a tertiary alcohol (CHEBI:26878)
INN Source
naloxegol KEGG DRUG
Synonyms Sources
NKTR 118 ChemIDplus
NKTR-118 ChemIDplus
NKTR118 ChemIDplus
Manual Xrefs Databases
4832 DrugCentral
D10479 KEGG DRUG
Naloxegol Wikipedia
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Registry Numbers Types Sources
14435712 Reaxys Registry Number Reaxys
854601-70-0 CAS Registry Number KEGG DRUG
854601-70-0 CAS Registry Number ChemIDplus
Citations Waiting for Citations Types Sources
23726675 PubMed citation Europe PMC
24238792 PubMed citation Europe PMC
24896818 PubMed citation Europe PMC
24945932 PubMed citation Europe PMC
24946021 PubMed citation Europe PMC
25112584 PubMed citation Europe PMC
25209526 PubMed citation Europe PMC
25220391 PubMed citation Europe PMC
25278772 PubMed citation Europe PMC
Last Modified
22 February 2017