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