BROMPHENIRAMINE


Synonyms	BPN Bromfed Bromfenex Brompheniramine Brotane Dimetane Dimetapp Lodrane
Status
Molecule Category	UNKNOWN
ATC	R06AB01
UNII	H57G17P2FN
EPA CompTox	DTXSID5022691


Active Pharmaceutical Ingredients Bioactive chemicals	Exact Similarity SubStructure	Threshold (%) >= 70

Structure


InChI Key	ZDIGNSYAACHWNL-UHFFFAOYSA-N
Smiles	CN(C)CCC(c1ccc(Br)cc1)c1ccccn1
InChI	InChI=1S/C16H19BrN2/c1-19(2)12-10-15(16-5-3-4-11-18-16)13-6-8-14(17)9-7-13/h3-9,11,15H,10,12H2,1-2H3

Physicochemical Descriptors

Property Name	Value
Molecular Formula	C16H19BrN2
Molecular Weight	319.25
AlogP	3.93
Hydrogen Bond Acceptor	2.0
Hydrogen Bond Donor	0.0
Number of Rotational Bond	5.0
Polar Surface Area	16.13
Molecular species	BASE
Aromatic Rings	2.0
Heavy Atoms	19.0

Assay Description	Organism	Bioactivity
In vitro inhibition of accumulation of [14C]5-HT (5-HT) in mouse brain slices	None	300.0 nM
Inhibition of binding of Batrachotoxinin [3H]BTX-B to high affinity sites on voltage dependent sodium channels in a vesicular preparation from guinea pig cerebral cortex at 10 uM	Cavia porcellus	44.0 %	Inhibition of binding of Batrachotoxinin [3H]BTX-B to high affinity sites on voltage dependent sodium channels in a vesicular preparation from guinea pig cerebral cortex at 10 uM	Cavia porcellus	46.0 %
Inhibition of human ERG	Homo sapiens	891.25 nM

Related Entries

Cross References

Resources	Reference
ChEBI	3183
ChEMBL	CHEMBL811
DrugBank	DB00835
DrugCentral	408
FDA SRS	H57G17P2FN
Human Metabolome Database	HMDB0001941
Guide to Pharmacology	7133
KEGG	C06857
PharmGKB	PA448675
PubChem	6834
SureChEMBL	SCHEMBL4814

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).