vitamin D3

Ligand id: 2747

Name: vitamin D3

Structure and Physico-chemical Properties

2D Structure
Calculated Physico-chemical Properties
Hydrogen bond acceptors 1
Hydrogen bond donors 1
Rotatable bonds 6
Topological polar surface area 20.23
Molecular weight 384.34
XLogP 9.9
No. Lipinski's rules broken 1

Molecular properties generated using the CDK

References
1. Cheng JB, Motola DL, Mangelsdorf DJ, Russell DW. (2003)
De-orphanization of cytochrome P450 2R1: a microsomal vitamin D 25-hydroxilase.
J. Biol. Chem.278 (39): 38084-93. [PMID:12867411]
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]