Ligand Id: 2738
Ligand name cholesterol sulphate

2D Structure
Calculated Physico-chemical Properties
Hydrogen bond acceptors 4
Hydrogen bond donors 1
Rotatable bonds 7
Topological polar surface area 71.98
Molecular weight 466.31
XLogP 9.22
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,13R,14S,17R)-10,13-dimethyl-17-[(2R)-6-methylheptan-2-yl]-2,3,4,7,8,9,11,12,14,15,16,17-dodecahydro-1H-cyclopenta[a]phenanthren-3-yl] hydrogen sulfate
Synonyms
cholesteryl sulfate
Database Links
CAS Registry No. 1256-86-6
ChEBI CHEBI:41321
ChEMBL Ligand 330507
PubChem CID 65076
RCSB PDB Ligand C3S
Search on ChemSpider BHYOQNUELFTYRT-DPAQBDIFSA-N
ZINC ZINC12494196

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