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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) ...
Download SMILES
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

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

Structural Alerts

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

Compound Cross References

ChemSpider ChemSpider:DNVPQKQSNYMLRS-APGDWVJJSA-N
Wikipedia Ergosterol

UniChem Cross References

View the UniChem Connectivity matches for CHEMBL1232562



ACToR 57-87-4
BindingDB 50378884
ChEBI 16933
eMolecules 25689727
FDA SRS Z30RAY509F
KEGG Ligand C01694
LipidMaps LMST01030093
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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