HISTAMINE DIHYDROCHLORIDE

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Synonyms
Status
Molecule Category Salt-form
ATC L03AX14
UNII 3POA0Q644U
EPA CompTox DTXSID1058767
Parent Compound: HISTAMINE

Structure

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

Physicochemical Descriptors

Property Name Value
Molecular Formula C5H11Cl2N3
Molecular Weight 184.07
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
3.311-87.1 - - 10-501.19 -
Transporter Electrochemical transporter SLC superfamily of solute carriers SLC21/SLCO family of organic anion transporting polypeptides
- - - - 94.98-100.71
EC50(nM) IC50(nM) Kd(nM) Ki(nM) Inhibition(%)
Cricetulus griseus
- - - - 94.98-100.71
Homo sapiens
3.311-33.88 - - 10-501.19 -
Mus musculus
87.1 - - 501.19 -

Cross References

Resources Reference
ChEMBL CHEMBL1533310
FDA SRS 3POA0Q644U
PubChem 5818
SureChEMBL SCHEMBL58710
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