HISTAMINE

Search structure
Synonyms:
Status: Approved (1939)
Entry Type: Small molecule
Molecule Category: Parent
UNII: 820484N8I3

Structure
InChI Key NTYJJOPFIAHURM-UHFFFAOYSA-N
Smile 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
7-1800 159 1-10 1-60 -
Transporter Electrochemical transporter SLC superfamily of solute carriers SLC22 family of organic cation and anion transporters
- - - - 4

Indications

Mesh Heading Maximum Phase Mesh ID Reference
Inflammation 3 D007249 ClinicalTrials
Pterygium 3 D011625 ClinicalTrials
Osteoarthritis, Knee 3 D020370 ClinicalTrials
Urticaria 3 D014581 ClinicalTrials
Lymphoma, Non-Hodgkin 3 D008228 ClinicalTrials
Rhinitis, Allergic, Seasonal 2 D006255 ClinicalTrials
Multiple Sclerosis 2 D009103 ClinicalTrials
Rhinitis, Allergic, Seasonal 2 D006255 ClinicalTrials
Asthma 1 D001249 ClinicalTrials
Hypersensitivity 0 D006967 ClinicalTrials

Related Entries

Salt
Salt

Cross References

Resources Reference
CAS NUMBER 51-45-6
ChEBI 18295
ChEMBL CHEMBL90
DrugBank DB05381
DrugCentral 1375
EPA CompTox DTXSID4023125
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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