HISTAMINE PHOSPHATE


Trade Names	HISTAMINE PHOSPHATE
Synonyms	Histamine phosphate
Status
Molecule Category	Salt-form
ATC	V04CG03
UNII	QWB37T4WZZ
EPA CompTox	DTXSID7058759
Parent Compound:	HISTAMINE


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

Structure


InChI Key	ZHIBQGJKHVBLJJ-UHFFFAOYSA-N
Smiles	NCCc1c[nH]cn1.O=P(O)(O)O.O=P(O)(O)O
InChI	InChI=1S/C5H9N3.2H3O4P/c6-2-1-5-3-7-4-8-5;21-5(2,3)4/h3-4H,1-2,6H2,(H,7,8);2(H3,1,2,3,4)

Physicochemical Descriptors

Property Name	Value
Molecular Formula	C5H15N3O8P2
Molecular Weight	307.14
AlogP	-0.09
Hydrogen Bond Acceptor	2.0
Hydrogen Bond Donor	2.0
Number of Rotational Bond	2.0
Polar Surface Area	54.7
Molecular species	BASE
Aromatic Rings	1.0
Heavy Atoms	8.0

Bioactivity

Mechanism of Action	Action	Reference
Histamine H1 receptor agonist	AGONIST	DailyMed


Protein: Histamine H1 receptor Description: Histamine H1 receptor Organism : Homo sapiens P35367 ENSG00000196639

Cross References

Resources	Reference
ChEBI	51193
ChEMBL	CHEMBL3989520
DrugBank	DB00667
FDA SRS	QWB37T4WZZ
Guide to Pharmacology	1247
KEGG	C00388
PDB	HSM
PubChem	65513
SureChEMBL	SCHEMBL123245
ZINC	ZINC18217584

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).