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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

Structural Alerts

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

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

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
ChEBI 16521
eMolecules 29549626 548058 29917825 29549898
FDA SRS 1J05Z83K3M
Guide to Pharmacology 2746
Human Metabolome Database HMDB01251
IBM Patent System 29E41DCA3890F113A0785411AACD4253
IBM Patents EP1847315A1 US20030229451 EP1814978A2 US20060078911 WO2002092846A1 EP1213006A1 US7722901 WO2002088753A1 US20090325173 EP0749324A1 WO1994001404A1 US20080261308 WO1999029320A1 EP1891924A1 US5635165 US20030138377 US7649047 US7560474 US20030180823 EP1877033B1 WO2002014500A2 US20020032171 WO2001093918A2 WO1992003455A1 US4828982 WO2001085119A1 US20070196461 US4830858 US20100056784 US20030118541 US20080317839 US20090036856 EP1482904A1 WO1995024219A1 US20080199411 WO2007071158A1 US6723867 EP1377320B1 US20060064068 EP1370235A2 US6159745 WO2010023411A2 US6491934 WO2005120234A2 US7341713 EP0602961A1 US7175854 US7285290 US6491935 US20050014730 WO2001008658A1 US20040086470 US6861410 WO2004009037A2 US20070196284 US20040265462 US20090098207 US7294351 WO2004093917A2 US20040082061 US5116599 WO2003030860A1 US7794969 US6569453 EP1029897A1 WO1990010448A2 EP1392236A2 US20030103921 EP2258190A2 WO2002073196A2 US6342598 WO2000008190A2 EP1113782B1 US7476661 WO2006112872A2 WO2006001896A2 WO1999056721A1 WO2010046291A2 EP1879558B1 EP1379218A2 EP1299545A2 US20090117066 US20050102716 US20070208134 WO1994029453A2 EP0486290A3 WO1997041130A2 US7311897 US20020098152 US5716777 WO2005063306A1 US7776320 US20070299244 WO2005033048A2 WO2004027022A2 WO2005120448A1 US20030138394 US20040147189 US6153209 US6428779
KEGG Ligand C01724
Mcule MCULE-6692951185
MolPort MolPort-000-146-138
Nikkaji J4.237D
PDBe LAN
PubChem 246983
PubChem: Thomson Pharma 15302777
Recon lanost
SureChEMBL SCHEMBL145834
ZINC ZINC03870056

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