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ChEMBL Statistics
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Compound Report Card

Compound Name and Classification

Compound ID CHEMBL455876
CHEMBL455876
Compound Name DESMOSTEROL
ChEMBL Synonyms Desmosterol | 24-Dehydrocholesterol
Max Phase 0
Trade Names
Molecular Formula C27H44O

Additional synonyms for CHEMBL455876 found using NCI Chemical Identifier Resolver

Compound Representations

Molfile Download MolFile
Canonical SMILES C[C@H](CCC=C(C)C)[C@H]1CC[C@H]2[C@@H]3CC=C4C[C@@H](O)CC[C@]4 ...
Download SMILES
Standard InChI InChI=1S/C27H44O/c1-18(2)7-6-8-19(3)23-11-12-24-22-10-9-20-1 ...
Download InChI
Standard InChI Key AVSXSVCZWQODGV-DPAQBDIFSA-N

Sources

  • Scientific Literature

Alternate Forms of Compound in ChEMBL


CHEMBL455876

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
384.7 384.3392 7.31 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
- - 9.27 9.27 0 28 0.5

Structural Alerts

There are 2 structural alerts for CHEMBL455876. To view alerts please click here.

Compound Cross References

ChemSpider ChemSpider:AVSXSVCZWQODGV-DPAQBDIFSA-N
Wikipedia Desmosterol

UniChem Cross References

View the UniChem Connectivity matches for CHEMBL455876



Brenda 3462 21508
ChEBI 17737
eMolecules 537543
EPA CompTox Dashboard DTXSID10878676
FDA SRS ANP93865R8
Guide to Pharmacology 2748
Human Metabolome Database HMDB0002719
IBM Patent System 75B63E5D534729B261B52933350938A4
KEGG Ligand C01802
LipidMaps LMST01010016
Metabolights MTBLC17737
MolPort MolPort-003-941-119
Nikkaji J5.659F
PubChem 439577
PubChem: Thomson Pharma 15978228
Recon dsmsterol
Rhea 17737
SureChEMBL SCHEMBL156561
ZINC ZINC000003876073

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