| Stem definition | Drug id | CAS RN |
|---|---|---|
| neurokinin NK1 (substance P) receptor antagonist | 4401 | 414910-27-3 |
None
| Property | Value | Reference |
|---|---|---|
| Vd (Volume of distribution) | 2.77 L/kg | Lombardo F, Berellini G, Obach RS |
| CL (Clearance) | 3.07 mL/min/kg | Lombardo F, Berellini G, Obach RS |
| fu (Fraction unbound in plasma) | 1 % | Lombardo F, Berellini G, Obach RS |
| t_half (Half-life) | 15.60 hours | Lombardo F, Berellini G, Obach RS |
None
None
None
None
None
| Source | Code | Description |
|---|---|---|
| ATC | A04AD13 | ALIMENTARY TRACT AND METABOLISM ANTIEMETICS AND ANTINAUSEANTS ANTIEMETICS AND ANTINAUSEANTS Other antiemetics |
| MeSH PA | D000932 | Antiemetics |
| MeSH PA | D002491 | Central Nervous System Agents |
| MeSH PA | D005765 | Gastrointestinal Agents |
| MeSH PA | D064729 | Neurokinin-1 Receptor Antagonists |
| MeSH PA | D018377 | Neurotransmitter Agents |
| MeSH PA | D018373 | Peripheral Nervous System Agents |
None
None
None
| Dissociation level | Dissociation constant | Type (acidic/basic) |
|---|---|---|
| pKa1 | 6.7 | Basic |
None
None
| Target | Class | Pharos | UniProt | Action | Type | Activity value (-log[M]) | Mechanism action | Bioact source | MoA source |
|---|---|---|---|---|---|---|---|---|---|
| Substance-P receptor | GPCR | ANTAGONIST | Ki | 9.90 | CHEMBL | SCIENTIFIC LITERATURE | |||
| Sigma non-opioid intracellular receptor 1 | Membrane receptor | Ki | 5.53 | CHEMBL |
| ID | Source |
|---|---|
| D06574 | KEGG_DRUG |
| C2347566 | UMLSCUI |
| CHEBI:135967 | CHEBI |
| CHEMBL1672054 | ChEMBL_ID |
| DB06634 | DRUGBANK_ID |
| C531951 | MESH_SUPPLEMENTAL_RECORD_UI |
| 5758 | IUPHAR_LIGAND_ID |
| 8701 | INN_ID |
| 414910-30-8 | SECONDARY_CAS_RN |
| 3B03KPM27L | UNII |
| 9917021 | PUBCHEM_CID |
| CHEMBL2107320 | ChEMBL_ID |
None