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 Clinical data References Structure Similar ligands
Classification
Compound class Synthetic organic
Approved drug? Yes (source: FDA (1946))
DrugBank groups approved
IUPAC Name
2-[di(phenyl)methoxy]-N,N-dimethylethanamine
International Nonproprietary Names
INN number INN
1774 diphenhydramine
Synonyms
benzhydramine
dimehydrinate
diphenylhydramine
Database Links
BindingDB Ligand 50017674
CAS Registry No. 58-73-1
ChEBI CHEBI:127629
ChEMBL Ligand CHEMBL657
DrugBank Ligand DB01075
Human Metabolome Database HMDB01927
PharmGKB Drug PA449349
PubChem CID 3100
RCSB PDB Ligand 2PM
Search Google for chemical match using the InChIKey ZZVUWRFHKOJYTH-UHFFFAOYSA-N
Search Google for chemicals with the same backbone ZZVUWRFHKOJYTH
Search PubMed clinical trials diphenhydramine
Search PubMed titles diphenhydramine
Search PubMed titles/abstracts diphenhydramine
Wikipedia Diphenhydramine
ZINC ZINC00020244
Comments
Diphenhydramine has anti-histamine action.

Contact us | Print | Back to top | Help