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ChEMBL Statistics
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Compound Report Card

Compound Name and Classification

Compound ID CHEMBL110111
CHEMBL110111
Compound Name GALACTOCEREBROSIDE
ChEMBL Synonyms
Max Phase 0
Trade Names
Molecular Formula C25H47NO9

Additional synonyms for CHEMBL110111 found using NCI Chemical Identifier Resolver

Compound Representations

Molfile Download MolFile
Canonical SMILES CCCCCCCCCCCCC\C=C/C(O)C(CO)NC(=O)O[C@@H]1O[C@H](CO)[C@H](O)[ ...
Download SMILES
Standard InChI InChI=1S/C25H47NO9/c1-2-3-4-5-6-7-8-9-10-11-12-13-14-15-19(2 ...
Download InChI
Standard InChI Key LEBBDRXHHNYZIA-LDUWYPJVSA-N

Sources

  • Scientific Literature

Alternate Forms of Compound in ChEMBL


CHEMBL110111

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
505.7 505.3251 1.49 18 168.94 NEUTRAL


HBA HBD #Ro5 Violations HBA (Lipinski) HBD (Lipinski) #Ro5 Violations (Lipinski)
9 7 2 10 7 2


ACD Acidic pKa ACD Basic pKa ACD LogP ACD LogD pH7.4 Aromatic Rings Heavy Atoms QED Weighted
10.79 - 3.94 3.94 0 35 0.11

Structural Alerts

There are 12 structural alerts for CHEMBL110111. To view alerts please click here.

Compound Cross References

ChemSpider ChemSpider:LEBBDRXHHNYZIA-LDUWYPJVSA-N
Wikipedia Galactocerebroside

UniChem Cross References

View the UniChem Connectivity matches for CHEMBL110111



BindingDB 50061123
PubChem 44339430

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