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ChEMBL Statistics
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Compound Report Card

Compound Name and Classification

Compound ID CHEMBL520535
CHEMBL520535
Compound Name CAMPESTEROL
ChEMBL Synonyms Campesterol
Max Phase 0
Trade Names
Molecular Formula C28H48O

Additional synonyms for CHEMBL520535 found using NCI Chemical Identifier Resolver

Compound Representations

Molfile Download MolFile
Canonical SMILES CC(C)[C@H](C)CC[C@@H](C)[C@H]1CC[C@H]2[C@@H]3CC=C4C[C@@H](O) ...
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Standard InChI InChI=1S/C28H48O/c1-18(2)19(3)7-8-20(4)24-11-12-25-23-10-9-2 ...
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Standard InChI Key SGNBVLSWZMBQTH-PODYLUTMSA-N

Sources

  • Scientific Literature

Alternate Forms of Compound in ChEMBL


CHEMBL520535

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
400.7 400.3705 7.63 5 20.23 NEUTRAL


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


ACD Acidic pKa ACD Basic pKa ACD LogP ACD LogD pH7.4 Aromatic Rings Heavy Atoms QED Weighted
- - 9.97 9.97 0 29 0.47

Structural Alerts

There are 2 structural alerts for CHEMBL520535. To view alerts please click here.

Compound Cross References

ChemSpider ChemSpider:SGNBVLSWZMBQTH-PODYLUTMSA-N
Wikipedia Campesterol

UniChem Cross References

View the UniChem Connectivity matches for CHEMBL520535



ACToR 474-60-2
Brenda 6494 91234 37879
ChEBI 28623
eMolecules 36757272
EPA CompTox Dashboard DTXSID3040988
FDA SRS 5L5O665639
Human Metabolome Database HMDB0002869
IBM Patent System 3DB993939C4D93C3AC3B0CA01008506F
KEGG Ligand C01789
LipidMaps LMST01030097
Metabolights MTBLC28623
MolPort MolPort-006-111-384
Nikkaji J5.962E
PubChem 173183
PubChem: Drugs of the Future 56310600
PubChem: Thomson Pharma 16380182
SureChEMBL SCHEMBL94161
ZINC ZINC000004095721

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