Ligand id: 2746

Name: lanosterol

Structure and Physico-chemical Properties

2D Structure
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Calculated Physico-chemical Properties
Hydrogen bond acceptors 1
Hydrogen bond donors 1
Rotatable bonds 4
Topological polar surface area 20.23
Molecular weight 426.39
XLogP 10.21
No. Lipinski's rules broken 1

Molecular properties generated using the CDK

1. Friggeri L, Hargrove TY, Wawrzak Z, Guengerich FP, Lepesheva GI. (2019)
Validation of Human Sterol 14α-Demethylase (CYP51) Druggability: Structure-Guided Design, Synthesis, and Evaluation of Stoichiometric, Functionally Irreversible Inhibitors.
J. Med. Chem., [Epub ahead of print]. DOI: 10.1021/acs.jmedchem.9b01485 [PMID:31663733]
2. Otte K, Kranz H, Kober I, Thompson P, Hoefer M, Haubold B, Remmel B, Voss H, Kaiser C, Albers M, Cheruvallath Z, Jackson D, Casari G, Koegl M, Pääbo S, Mous J, Kremoser C, Deuschle U. (2003)
Identification of farnesoid X receptor beta as a novel mammalian nuclear receptor sensing lanosterol.
Mol. Cell. Biol., 23 (3): 864-72. [PMID:12529392]