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ChEMBL Statistics
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Compound Report Card

Compound Name and Classification

Compound ID CHEMBL1232562
CHEMBL1232562
Compound Name ERGOSTEROL
ChEMBL Synonyms Ergosterol D
Max Phase 0
Trade Names
Molecular Formula C28H44O

Additional synonyms for CHEMBL1232562 found using NCI Chemical Identifier Resolver

Compound Representations

Molfile Download MolFile
Canonical SMILES CC(C)[C@@H](C)\C=C\[C@@H](C)[C@H]1CC[C@H]2C3=CC=C4C[C@@H](O) ...
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Standard InChI InChI=1S/C28H44O/c1-18(2)19(3)7-8-20(4)24-11-12-25-23-10-9-2 ...
Download InChI
Standard InChI Key DNVPQKQSNYMLRS-APGDWVJJSA-N

Structural Alerts

There are 2 structural alerts for CHEMBL1232562. To view alerts please click here.

Alternate Forms of Compound in ChEMBL


CHEMBL1232562

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
396.7 396.3392 6.93 4 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
- - 9.28 9.28 0 29 0.51

Compound Cross References

ChemSpider ChemSpider:DNVPQKQSNYMLRS-APGDWVJJSA-N
Wikipedia Ergosterol

UniChem Cross References

View the UniChem Connectivity matches for CHEMBL1232562



ACToR 57-87-4
BindinDB 50378884
ChEBI 16933
eMolecules 25689727
FDA SRS Z30RAY509F
KEGG Ligand C01694
Nikkaji J209.317K J524.774H
PDBe ERG
PubChem 444679
PubChem: Thomson Pharma 15978514
Selleck Ergosterol
SureChEMBL SCHEMBL43194
ZINC ZINC04084618

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