Ligand Id: 2768
Ligand name dexamethasone

2D Structure
Calculated Physico-chemical Properties
Hydrogen bond acceptors 5
Hydrogen bond donors 3
Rotatable bonds 2
Topological polar surface area 94.83
Molecular weight 392.2
XLogP 1.14
No. Lipinski's rules broken 0

Molecular properties generated using the CDK

Summary Biological activity References Structure Similar ligands Radio analogues
Classification
Compound class Synthetic organic
Approved drug? Yes (source: DrugBank)
DrugBank groups approved; investigational
IUPAC Name
(8S,9R,10S,11S,13S,14S,16R,17R)-9-fluoro-11,17-dihydroxy-17-(2-hydroxyacetyl)-10,13,16-trimethyl-6,7,8,11,12,14,15,16-octahydrocyclopenta[a]phenanthren-3-one
International Nonproprietary Names
INN number INN
816 dexamethasone
Synonyms
desametasone
fluormethylprednisolone
Database Links
BindingDB Ligand 18207
CAS Registry No. 50-02-2 (source: DrugBank)
ChEMBL Ligand 127673, 137710, 127152
DrugBank Ligand DB01234
NURSA Ligand li33
PubChem CID 5743
RCSB PDB Ligand DEX
Search on ChemSpider UREBDLICKHMUKA-CXSFZGCWSA-N
Wikipedia dexamethasone
ZINC ZINC03875332

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

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