| Stem definition | Drug id | CAS RN |
|---|---|---|
| vasodilators | 1419 | 23210-56-2 |
None
| Property | Value | Reference |
|---|---|---|
| Vd (Volume of distribution) | 18.99 L/kg | Lombardo F, Berellini G, Obach RS |
| CL (Clearance) | 64.57 mL/min/kg | Lombardo F, Berellini G, Obach RS |
| t_half (Half-life) | 4.32 hours | Lombardo F, Berellini G, Obach RS |
None
None
None
None
None
| Source | Code | Description |
|---|---|---|
| ATC | C04AX28 | CARDIOVASCULAR SYSTEM PERIPHERAL VASODILATORS PERIPHERAL VASODILATORS Other peripheral vasodilators |
| MeSH PA | D018663 | Adrenergic Agents |
| MeSH PA | D000317 | Adrenergic alpha-Antagonists |
| MeSH PA | D018674 | Adrenergic Antagonists |
| MeSH PA | D002317 | Cardiovascular Agents |
| MeSH PA | D018691 | Excitatory Amino Acid Antagonists |
| MeSH PA | D018377 | Neurotransmitter Agents |
| MeSH PA | D014665 | Vasodilator Agents |
None
None
None
| Dissociation level | Dissociation constant | Type (acidic/basic) |
|---|---|---|
| pKa1 | 10.27 | acidic |
| pKa2 | 9.1 | Basic |
None
None
| Target | Class | Pharos | UniProt | Action | Type | Activity value (-log[M]) | Mechanism action | Bioact source | MoA source |
|---|---|---|---|---|---|---|---|---|---|
| Glutamate receptor ionotropic, NMDA 2A | Ion channel | IC50 | 4.40 | CHEMBL | |||||
| Sigma non-opioid intracellular receptor 1 | Membrane receptor | IC50 | 8.41 | CHEMBL | |||||
| Potassium voltage-gated channel subfamily H member 2 | Ion channel | IC50 | 7 | CHEMBL | |||||
| Histamine H1 receptor | GPCR | IC50 | 6 | CHEMBL | |||||
| Glutamate receptor ionotropic, NMDA 2B | Ion channel | IC50 | 7.70 | CHEMBL | |||||
| Glutamate receptor ionotropic, NMDA 2C | Ion channel | IC50 | 4.54 | CHEMBL | |||||
| Glutamate receptor ionotropic, NMDA 2D | Ion channel | IC50 | 4.12 | CHEMBL | |||||
| Glutamate NMDA receptor; GRIN1/GRIN2B | Ion channel | Ki | 8 | CHEMBL | |||||
| Glutamate receptor ionotropic, NMDA 1 | Ion channel | IC50 | 7.14 | CHEMBL | |||||
| Sigma non-opioid intracellular receptor 1 | Membrane receptor | Ki | 8.70 | CHEMBL | |||||
| Alpha-2A adrenergic receptor | GPCR | IC50 | 6.96 | CHEMBL | |||||
| 5-hydroxytryptamine receptor 1A | GPCR | IC50 | 6.62 | CHEMBL | |||||
| 5-hydroxytryptamine receptor 2A | GPCR | IC50 | 6.21 | CHEMBL | |||||
| Sigma non-opioid intracellular receptor 1 | Membrane other | Ki | 8.99 | CHEMBL | |||||
| Adrenergic receptor alpha-1 | GPCR | IC50 | 7 | CHEMBL | |||||
| Glutamate [NMDA] receptor subunit epsilon 2 | Ion channel | Ki | 7.96 | CHEMBL | |||||
| 3-beta-hydroxysteroid-delta(8),delta(7)-isomerase | Unclassified | Ki | 8.57 | CHEMBL | |||||
| Sigma intracellular receptor 2 | Unclassified | Ki | 7.01 | CHEMBL |
| ID | Source |
|---|---|
| D01445 | KEGG_DRUG |
| C0063340 | UMLSCUI |
| CHEBI:31688 | CHEBI |
| QEL | PDB_CHEM_ID |
| CHEMBL305187 | ChEMBL_ID |
| DB08954 | DRUGBANK_ID |
| C010739 | MESH_SUPPLEMENTAL_RECORD_UI |
| 3689 | PUBCHEM_CID |
| 5472 | IUPHAR_LIGAND_ID |
| 3236 | INN_ID |
| 23210-58-4 | SECONDARY_CAS_RN |
| R8OE3P6O5S | UNII |
| 27403 | RXNORM |
| 005790 | NDDF |
| 005791 | NDDF |
| 16291000122106 | SNOMEDCT_US |
| CHEMBL1256662 | ChEMBL_ID |
None