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), EMA (2010))
WHO Essential Medicine WHO Model List of Essential Medicines (21st List, 2019). Access PDF version.
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
Comments
Dexamethasone is a glucocorticoid receptor agonist with anti-inflammatory action.
Database Links
BindingDB Ligand 18207
CAS Registry No. 50-02-2
ChEMBL Ligand CHEMBL384467
DrugBank Ligand DB01234
GtoPdb PubChem SID 135651471
Immunopaedia Search dexamethasone
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
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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