HISTAMINE

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Synonyms
Status
Molecule Category Free-form
UNII 820484N8I3
EPA CompTox DTXSID4023125

Structure

InChI Key NTYJJOPFIAHURM-UHFFFAOYSA-N
Smiles NCCc1c[nH]cn1
InChI
InChI=1S/C5H9N3/c6-2-1-5-3-7-4-8-5/h3-4H,1-2,6H2,(H,7,8)

Physicochemical Descriptors

Property Name Value
Molecular Formula C5H9N3
Molecular Weight 111.15
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

Pharmacology

Targets EC50(nM) IC50(nM) Kd(nM) Ki(nM) Inhibition(%)
Membrane receptor Family A G protein-coupled receptor Small molecule receptor (family A GPCR) Monoamine receptor Histamine receptor
2.512-977.24 158.49 0.7762-134 0.1445-588.84 -
Transporter Electrochemical transporter SLC superfamily of solute carriers SLC22 family of organic cation and anion transporters
- - - - 4.1
EC50(nM) IC50(nM) Kd(nM) Ki(nM) Inhibition(%)
Canis lupus familiaris
- - - 63.1 -
Cavia porcellus
140-980 - 0.7762-10 0.1445-10.47 -
Homo sapiens
2.512-977.24 - 5 1-588.84 4.1
Mus musculus
87.1-94 - 42 42-79.43 -
Plasmodium falciparum
- 660 - - -
Rattus norvegicus
62-295.12 - 134 63.1-136 -

Cross References

Resources Reference
ChEBI 18295
ChEMBL CHEMBL90
DrugBank DB05381
DrugCentral 1375
FDA SRS 820484N8I3
Human Metabolome Database HMDB0000870
Guide to Pharmacology 1247
KEGG C00388
PDB HSM
PubChem 774
SureChEMBL SCHEMBL2279
ZINC ZINC000000388081
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