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Compound Report Card

Compound Name and Classification

Compound ID CHEMBL1329
CHEMBL1329
Compound Name MORPHINE 3-GLUCURONIDE
ChEMBL Synonyms Morphine 3-Glucuronide(Minor)
Max Phase 0
Trade Names
Molecular Formula C23H27NO9

Additional synonyms for CHEMBL1329 found using NCI Chemical Identifier Resolver

Compound Representations

Molfile Download MolFile
Canonical SMILES CN1CC[C@]23[C@H]4Oc5c(O[C@@H]6O[C@@H]([C@@H](O)[C@H](O)[C@H] ...
Download SMILES
Standard InChI InChI=1S/C23H27NO9/c1-24-7-6-23-10-3-4-12(25)20(23)32-18-13( ...
Download InChI
Standard InChI Key WAEXKFONHRHFBZ-ZXDZBKESSA-N

Sources

  • Scientific Literature

Alternate Forms of Compound in ChEMBL


CHEMBL1329

Compound Bioactivity Summary

Compound Assay Summary

Compound Target Summary

Calculated Compound Parent Properties

Mol. Weight Mol. Weight Monoisotopic ALogP #Rotatable Bonds Polar Surface Area Molecular Species
461.5 461.1686 -3.43 3 149.15 ACID


HBA HBD #Ro5 Violations HBA (Lipinski) HBD (Lipinski) #Ro5 Violations (Lipinski)
10 5 0 10 5 0


ACD Acidic pKa ACD Basic pKa ACD LogP ACD LogD pH7.4 Aromatic Rings Heavy Atoms QED Weighted
2.77 8.24 -1.56 -4.11 1 33 0.29

Structural Alerts

There are 2 structural alerts for CHEMBL1329. To view alerts please click here.

Compound Cross References

ChemSpider ChemSpider:WAEXKFONHRHFBZ-ZXDZBKESSA-N
Wikipedia Morphine-3-glucuronide

UniChem Cross References

View the UniChem Connectivity matches for CHEMBL1329



ACToR 20290-09-9
BindingDB 224029
Brenda 149719 11232 150125
ChEBI 80631
EPA CompTox Dashboard DTXSID80174157
FDA SRS O27Z9CH39A
Human Metabolome Database HMDB0041936
IBM Patent System 5A38A4038A5A44AD6C9CF9036B7B50D4
KEGG Ligand C16643
Metabolights MTBLC80631
Nikkaji J125.691B
PubChem 5484731
PubChem: Thomson Pharma 14858184
SureChEMBL SCHEMBL3843209
ZINC ZINC000030731319

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