Ligand Id: 1224
Ligand name diphenhydramine

2D Structure
Calculated Physico-chemical Properties
Hydrogen bond acceptors 2
Hydrogen bond donors 0
Rotatable bonds 6
Topological polar surface area 12.47
Molecular weight 255.16
XLogP 5.73
No. Lipinski's rules broken 1

Molecular properties generated using the CDK

Summary Biological activity References Structure Similar ligands
Classification
Compound class Synthetic organic
Approved drug? Yes (source: DrugBank)
DrugBank groups approved
IUPAC Name
2-[di(phenyl)methoxy]-N,N-dimethylethanamine
International Nonproprietary Names
INN number INN
61 dimenhydrinate
1774 diphenhydramine
Synonyms
2-benzhydryloxy-N,N-dimethyl-ethanamine
alledryl
benadryl
benzhydramine
dimehydrinate
diphenylhydramine
Database Links
BindingDB Ligand 50017674
CAS Registry No. 58-73-1 (source: DrugBank), 147-24-0 (source: NCI)
ChEBI CHEBI:127629
ChEMBL Ligand 568199, 127629
DrugBank Ligand DB01075
Human Metabolome Database HMDB01927
PharmGKB Drug PA449349
PubChem CID 3100
RCSB PDB Ligand 2PM
Search on ChemSpider ZZVUWRFHKOJYTH-UHFFFAOYSA-N
Wikipedia Diphenhydramine
ZINC ZINC00020244
iPHACE Q9MZ544B

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

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