Ligand Id: 2742
Ligand name 22R-hydroxycholesterol

2D Structure
Calculated Physico-chemical Properties
Hydrogen bond acceptors 2
Hydrogen bond donors 2
Rotatable bonds 5
Topological polar surface area 40.46
Molecular weight 402.35
XLogP 8.22
No. Lipinski's rules broken 1

Molecular properties generated using the CDK

Summary Biological activity References Structure Similar ligands
Classification
Compound class Metabolite or derivative
IUPAC Name
(3S,8S,9S,10R,13S,14S,17R)-17-[(2S,3R)-3-hydroxy-6-methylheptan-2-yl]-10,13-dimethyl-2,3,4,7,8,9,11,12,14,15,16,17-dodecahydro-1H-cyclopenta[a]phenanthren-3-ol
Synonyms
22β-hy​droxychol​esterol
22R-OHC
(3β,22​R)choles​t-5-ene-3​,22-diol
(3β,22R)-​cholest-5​-ene-3,22​-diol
Database Links
BindingDB Ligand 20177
CAS Registry No. 22348-64-7
ChEBI CHEBI:385115
ChEMBL Ligand 195573, 385115
NURSA Ligand 927, li15
PubChem CID 167685
RCSB PDB Ligand HC9
Search on ChemSpider RZPAXNJLEKLXNO-GFKLAVDKSA-N
ZINC ZINC04096816

Please note: some links may refer to related isomers. For more details please contact: curators@iuphar-db.org