HISTAMINE DIHYDROCHLORIDE

Search structure
Synonyms:
Status: Phase 3
Entry Type: Small molecule
Molecule Category: Salt
ATC: L03AX14
UNII: 3POA0Q644U
Parent Compound: HISTAMINE

Structure
InChI Key PPZMYIBUHIPZOS-UHFFFAOYSA-N
Smile 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
1000-1202 - - 13-219 -
Transporter Electrochemical transporter SLC superfamily of solute carriers SLC21/SLCO family of organic anion transporting polypeptides
- - - - 101

Indications

Mesh Heading Maximum Phase Mesh ID Reference
Melanoma 3 D008545 ClinicalTrials
Leukemia 3 D007938 ClinicalTrials
Migraine Disorders 2 D008881 ClinicalTrials
Kidney Neoplasms 2 D007680 ClinicalTrials

Related Entries

Parent

Cross References

Resources Reference
ChEMBL CHEMBL1533310
EPA CompTox DTXSID1058767
FDA SRS 3POA0Q644U
PubChem 5818
SureChEMBL SCHEMBL58710
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