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ChEMBL Statistics
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Compound Report Card

Compound Name and Classification

Compound ID CHEMBL225111
CHEMBL225111
Compound Name LANOSTEROL
ChEMBL Synonyms Lanostereol
Max Phase 0
Trade Names
Molecular Formula C30H50O

Additional synonyms for CHEMBL225111 found using NCI Chemical Identifier Resolver

Compound Representations

Molfile Download MolFile
Canonical SMILES C[C@H](CCC=C(C)C)[C@H]1CC[C@@]2(C)C3=C(CC[C@]12C)[C@@]4(C)CC ...
Download SMILES
Standard InChI InChI=1S/C30H50O/c1-20(2)10-9-11-21(3)22-14-18-30(8)24-12-13 ...
Download InChI
Standard InChI Key CAHGCLMLTWQZNJ-BQNIITSRSA-N

Sources

  • PubChem BioAssays
  • Scientific Literature

Alternate Forms of Compound in ChEMBL


CHEMBL225111

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
426.7 426.3862 8.12 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
- - 10.52 10.52 0 31 0.45

Structural Alerts

There are 2 structural alerts for CHEMBL225111. To view alerts please click here.

Compound Cross References

ChemSpider ChemSpider:CAHGCLMLTWQZNJ-BQNIITSRSA-N
PubChem SID: 26757817
Wikipedia Lanosterol

UniChem Cross References

View the UniChem Connectivity matches for CHEMBL225111



ACToR 79-63-0
Brenda 91986 1188 21484
ChEBI 16521
DrugBank DB03696
eMolecules 29549626 548058 29917825 29549898
EPA CompTox Dashboard DTXSID1040744
FDA SRS 1J05Z83K3M
Guide to Pharmacology 2746
Human Metabolome Database HMDB0001251
IBM Patent System 29E41DCA3890F113A0785411AACD4253
KEGG Ligand C01724
LipidMaps LMST01010017
Mcule MCULE-6692951185
Metabolights MTBLC16521
MolPort MolPort-000-146-138
Nikkaji J4.237D
PDBe LAN
PubChem 246983
PubChem: Thomson Pharma 15302777
Recon lanost
Rhea 16521
SureChEMBL SCHEMBL145834
ZINC ZINC000003870056

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