doxercalciferol

Ligand Id: 2790
Ligand name doxercalciferol

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 412.33
XLogP 8.69
No. Lipinski's rules broken 1

Molecular properties generated using the CDK

Summary Biological activity Structure Similar ligands
Classification
Compound class Metabolite or derivative
IUPAC Name
(1R,3S,5Z)-5-[(2E)-2-[(1R,3aS,7aR)-1-[(E,2R,5R)-5,6-dimethylhept-3-en-2-yl]-7a-methyl-2,3,3a,5,6,7-hexahydro-1H-inden-4-ylidene]ethylidene]-4-methylidenecyclohexane-1,3-diol
International Nonproprietary Names
INN number INN
7878 doxercalciferol
Synonyms
1-α-h​ydroxyerg​ocalcifer​ol
1α-hydroxyvitamin D2,
1αOHD2
Database Links
CAS Registry No. 54573-75-0 (source: Scifinder)
PubChem CID 5281107
RCSB PDB Ligand V2H
Search ChemSpider using InChI key HKXBNHCUPKIYDM-CGMHZMFXSA-N
Search Google for chemicals with the same backbone HKXBNHCUPKIYDM
Wikipedia Doxercalciferol
ZINC ZINC39953729

Please note: some links may refer to related isomers. For more details please contact: enquiries@guidetopharmacology.org