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ChEMBL Statistics
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Compound Report Card

Compound Name and Classification

Compound ID CHEMBL2219418
CHEMBL2219418
Compound Name NALOXEGOL
ChEMBL Synonyms NALOXEGOL OXALATE | AZ13337019 OXALATE | NKTR-118 | NALOXEGOL | NKTR-118 OXALATE
Max Phase 4 (Approved)
Trade Names
Molecular Formula C34H53NO11

Additional synonyms for CHEMBL2219418 found using NCI Chemical Identifier Resolver

Compound Representations

Molfile Download MolFile
Canonical SMILES COCCOCCOCCOCCOCCOCCOCCO[C@H]1CC[C@@]2(O)[C@H]3Cc4ccc(O)c5O[C ...
Download SMILES
Standard InChI InChI=1S/C34H53NO11/c1-3-9-35-10-8-33-30-26-4-5-27(36)31(30) ...
Download InChI
Standard InChI Key XNKCCCKFOQNXKV-ZRSCBOBOSA-N

Sources

  • British National Formulary
  • Manually Added Drugs
  • Orange Book
  • USP Dictionary of USAN and International Drug Names
  • WHO Anatomical Therapeutic Chemical Classification

Alternate Forms of Compound in ChEMBL


CHEMBL2219418

Molecule Features

CHEMBL2219418 compound icon
Drug Type:Natural Product-derived Rule of Five:N First In Class:N Chirality:Single Stereoisomer Prodrug:N Oral:Y Parenteral:N Topical:N Black Box:N Availability Type:Prescription-only

Mechanism of Action

Mechanism of Action ChEMBL Target References
Mu opioid receptor antagonist Mu opioid receptor FDA

Indications

MESH Heading MESH ID EFO ID EFO Term Max phase for indication References
CONSTIPATIOND003248HP:0002019CONSTIPATION4ClinicalTrials

Clinical Data

ClinicalTrials.gov NALOXEGOL
The Cochrane Collaboration NALOXEGOL

Calculated Compound Parent Properties

Mol. Weight Mol. Weight Monoisotopic ALogP #Rotatable Bonds Polar Surface Area Molecular Species
651.8 651.3619 0.95 24 126.77 NEUTRAL


HBA HBD #Ro5 Violations HBA (Lipinski) HBD (Lipinski) #Ro5 Violations (Lipinski)
12 2 2 12 2 1


ACD Acidic pKa ACD Basic pKa ACD LogP ACD LogD pH7.4 Aromatic Rings Heavy Atoms QED Weighted
9.36 6.51 -.94 -1.02 1 46 0.12

Structural Alerts

There are 7 structural alerts for CHEMBL2219418. To view alerts please click here.

Compound Cross References

ATC A - ALIMENTARY TRACT AND METABOLISM
A06 - DRUGS FOR CONSTIPATION
A06A - DRUGS FOR CONSTIPATION
A06AH - Peripheral opioid receptor antagonists
A06AH03 - naloxegol

ChemSpider ChemSpider:XNKCCCKFOQNXKV-ZRSCBOBOSA-N
DailyMed naloxegol oxalate

UniChem Cross References

View the UniChem Connectivity matches for CHEMBL2219418



ChEBI 82975
DrugBank DB09049
DrugCentral 4832
EPA CompTox Dashboard DTXSID80234684
FDA SRS 44T7335BKE
Guide to Pharmacology 7539
PubChem 56959087
SureChEMBL SCHEMBL19433066
ZINC ZINC000095564694

UniChem REST Service Call:
https://www.ebi.ac.uk/unichem/rest/verbose_inchikey/XNKCCCKFOQNXKV-ZRSCBOBOSA-N spacer
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