dexamethasone

Ligand id: 2768

Name: dexamethasone

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Structure and Physico-chemical Properties

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

Classification
Compound class Synthetic organic
Approved drug? Yes (FDA (1958))
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
Decadron® | desametasone | fluormethylprednisolone
Database Links
BindingDB Ligand 18207
CAS Registry No. 50-02-2
ChEMBL Ligand CHEMBL384467
DrugBank Ligand DB01234
GtoPdb PubChem SID 135651471
NURSA Ligand 10.1621/O7ZZFIS5QC
PubChem CID 5743
RCSB PDB Ligand DEX
Search Google for chemical match using the InChIKey UREBDLICKHMUKA-CXSFZGCWSA-N
Search Google for chemicals with the same backbone UREBDLICKHMUKA
Search PubMed clinical trials dexamethasone
Search PubMed titles dexamethasone
Search PubMed titles/abstracts dexamethasone
Search UniChem for chemical match using the InChIKey UREBDLICKHMUKA-CXSFZGCWSA-N
Search UniChem for chemicals with the same backbone UREBDLICKHMUKA
SynPHARM 6570 (in complex with Glucocorticoid receptor)
6583 (in complex with Mineralocorticoid receptor)
Wikipedia Dexamethasone
Comments
Dexamethasone is a glucocorticoid receptor agonist with anti-inflammatory action.