Molecule Details
| InChIKey | NTYJJOPFIAHURM-UHFFFAOYSA-N |
|---|---|
| Compound Name | Histamine |
| Canonical SMILES | NCCc1c[nH]cn1 |
| Clinical Status | Data-mined Candidate |
| Targets (Human+Pathogen) | 4 |
| Pfam Stratification | Homologous |
| Avg pChEMBL | 7.29 |
| Source | BindingDB;ChEMBL |
2D Structure
Activity Profile
DrugBank Annotations
| DrugBank ID | DB05381 |
|---|---|
| Drug Name | Histamine |
| CAS Number | 51-45-6 |
| Groups | approved investigational |
| ATC Codes | L03AX14 V04CG03 |
| Description | A depressor amine derived by enzymatic decarboxylation of histidine. It is a powerful stimulant of gastric secretion, a constrictor of bronchial smooth muscle, a vasodilator, and also a centrally acting neurotransmitter. |
Categories: Adjuvants, Immunologic Amines Antineoplastic and Immunomodulating Agents Autacoids Biogenic Amines Biogenic Monoamines Biological Factors Cytochrome P-450 CYP3A Inhibitors Cytochrome P-450 Enzyme Inhibitors Diagnostic Agents Ethylamines Gastric Function Histamine Agents Histamine Agonists Imidazoles Inflammation Mediators Neurotransmitter Agents OCT1 substrates OCT2 Inhibitors OCT2 Substrates Other Diagnostics Tests for Gastric Secretion
Cross-references: BindingDB: 7966 ChEBI: 18295 CHEMBL90 ChemSpider: 753 Drugs Product Database (DPD): 6342 C00388 D08040 PDB: HSM PharmGKB: PA449880 PubChem:774 PubChem:175426988 RxCUI: 5333 Wikipedia: Histamine ZINC: ZINC000000388081
Target Activities (4)
| Target | Gene | Organism | Category | Pfam | pChEMBL | Type | Source |
|---|---|---|---|---|---|---|---|
| Q9Y5N1 | HRH3 | Homo sapiens | Human | PF00001 | 7.9 | Ki | ChEMBL;BindingDB |
| Q9H3N8 | HRH4 | Homo sapiens | Human | PF00001 | 7.9 | Ki | ChEMBL;BindingDB |
| P35367 | HRH1 | Homo sapiens | Human | PF00001 | 6.8 | IC50 | ChEMBL;BindingDB |
| P25021 | HRH2 | Homo sapiens | Human | PF00001 | 6.6 | Ki | ChEMBL;BindingDB |
DrugBank Target Actions (11)
| Target | Gene | Target Name | Action | Type |
|---|---|---|---|---|
| P50135 | P50135 | Histamine N-methyltransferase | substrate | enzymes |
| P25021 | HRH2 | Histamine H2 receptor | agonist | targets |
| P35367 | HRH1 | Histamine H1 receptor | agonist | targets |
| Q9H3N8 | HRH4 | Histamine H4 receptor | agonist | targets |
| Q9Y5N1 | HRH3 | Histamine H3 receptor | agonist | targets |
| Q05940 | SLC18A2 | Synaptic vesicular amine transporter | binder | targets |
| O15245 | SLC22A1 | Solute carrier family 22 member 1 | binder | transporters |
| O15244 | SLC22A2 | Solute carrier family 22 member 2 | inhibitor | transporters |
| O75751 | SLC22A3 | Solute carrier family 22 member 3 | inhibitor | transporters |
| O76082 | O76082 | Organic cation/carnitine transporter 2 | inhibitor | transporters |
| O15244 | SLC22A2 | Solute carrier family 22 member 2 | substrate | transporters |