DIPHENHYDRAMINE


Synonyms	Antitussive Beldin Belix Benadryl Benylin Dibenil Diphen Diphenhdyra Diphenhydramine Hydramine Restamin Silphen
Status
Molecule Category	Free-form
ATC	D04AA32 R06AA02
UNII	8GTS82S83M
EPA CompTox	DTXSID4022949

Structure


InChI Key	ZZVUWRFHKOJYTH-UHFFFAOYSA-N
Smiles	CN(C)CCOC(c1ccccc1)c1ccccc1
InChI	InChI=1S/C17H21NO/c1-18(2)13-14-19-17(15-9-5-3-6-10-15)16-11-7-4-8-12-16/h3-12,17H,13-14H2,1-2H3

Physicochemical Descriptors

Property Name	Value
Molecular Formula	C17H21NO
Molecular Weight	255.36
AlogP	3.35
Hydrogen Bond Acceptor	2.0
Number of Rotational Bond	6.0
Polar Surface Area	12.47
Molecular species	BASE
Aromatic Rings	2.0
Heavy Atoms	19.0

Pharmacology

Targets	EC50(nM)	IC50(nM)	Kd(nM)	Ki(nM)	Inhibition(%)
Ion channel Voltage-gated ion channel Voltage-gated sodium channel	-	-	-	-	59.8
Membrane receptor Family A G protein-coupled receptor Small molecule receptor (family A GPCR) Monoamine receptor Histamine receptor	-	1	11.75	14.79	-

	EC50(nM)	IC50(nM)	Kd(nM)	Ki(nM)	Inhibition(%)
Cavia porcellus	-	1	11.75	-	59.8
Homo sapiens	-	-	-	14.79	-
Mus musculus	-	-	-	-	89.7
Rattus norvegicus	-	-	-	-	27.9-52.8

Related Entries

Environmental Exposure

Environmental Exposure Map

Countries
USA

Cross References

Resources	Reference
ChEBI	4636
ChEMBL	CHEMBL657
DrugBank	DB01075
DrugCentral	916
FDA SRS	8GTS82S83M
Human Metabolome Database	HMDB0001927
Guide to Pharmacology	1224
KEGG	C06960
PDB	2PM
PharmGKB	PA449349
PubChem	3100
SureChEMBL	SCHEMBL4064
ZINC	ZINC000000020244

CONTENTS


PREMIER has received funding from the Innovative Medicines Initiative 2 Joint Undertaking (JU) under grant agreement No 875508. The JU receives support from the EU’s Horizon 2020 research and innovation programme and the European Federation of Pharmaceutical Industries and Associations (EFPIA). The views reflect only the authors’ perspective and the JU is not responsible for any use that may be made of the information this manuscript contains. Elements of the website have been developed under projects PREMIER and the Biocenter Finland Drug Discovery and Chemical Biology network. CSC-IT is thanked for providing computational resources. Content of the website is provided without guarantee for correctness. Data has been collected and integrated from multiple public sources, for the largest: FDA, HUGO Gene Nomenclature Committee, ChEMBL, IUPHAR/BPS guide to pharmacology, Reactome, UniProt, and Ensembl. Credit is given to Ensembl for collecting species images (provided under public domain licences such as Wikimedia and NHGRI).

PREMIER has received funding from the Innovative Medicines Initiative 2 Joint Undertaking (JU) under grant agreement No 875508. The JU receives support from the EU’s Horizon 2020 research and innovation programme and the European Federation of Pharmaceutical Industries and Associations (EFPIA). The views reflect only the authors’ perspective and the JU is not responsible for any use that may be made of the information this manuscript contains.

Elements of the website have been developed under projects PREMIER and the Biocenter Finland Drug Discovery and Chemical Biology network. CSC-IT is thanked for providing computational resources. Content of the website is provided without guarantee for correctness. Data has been collected and integrated from multiple public sources, for the largest: FDA, HUGO Gene Nomenclature Committee, ChEMBL, IUPHAR/BPS guide to pharmacology, Reactome, UniProt, and Ensembl. Credit is given to Ensembl for collecting species images (provided under public domain licences such as Wikimedia and NHGRI).