Stem definition | Drug id | CAS RN |
---|---|---|
1571 | 1477-40-3 |
None
Property | Value | Reference |
---|---|---|
MRTD (Maximum Recommended Therapeutic Daily Dose) | 11.32 ยตM/kg/day | Contrera JF, Matthews EJ, Kruhlak NL, Benz RD |
Vd (Volume of distribution) | 8.30 L/kg | Lombardo F, Berellini G, Obach RS |
CL (Clearance) | 5.40 mL/min/kg | Lombardo F, Berellini G, Obach RS |
fu (Fraction unbound in plasma) | 0.20 % | Lombardo F, Berellini G, Obach RS |
t_half (Half-life) | 18 hours | Lombardo F, Berellini G, Obach RS |
S (Water solubility) | 15 mg/mL | Bocci G, Oprea TI, Benet LZ |
BDDCS (Biopharmaceutical Drug Disposition Classification System) | 1 | Bocci G, Oprea TI, Benet LZ |
Date | Agency | Company | Orphan |
---|---|---|---|
Jan. 7, 1997 | EMA | ||
July 9, 1993 | FDA | ROXANE |
None
None
None
None
Source | Code | Description |
---|---|---|
ATC | N07BC03 | NERVOUS SYSTEM OTHER NERVOUS SYSTEM DRUGS DRUGS USED IN ADDICTIVE DISORDERS Drugs used in opioid dependence |
MeSH PA | D000700 | Analgesics |
MeSH PA | D000701 | Analgesics, Opioid |
MeSH PA | D002491 | Central Nervous System Agents |
MeSH PA | D002492 | Central Nervous System Depressants |
MeSH PA | D009294 | Narcotics |
MeSH PA | D018373 | Peripheral Nervous System Agents |
MeSH PA | D018689 | Sensory System Agents |
CHEBI has role | CHEBI:35482 | narcotic analgesic |
CHEBI has role | CHEBI:50137 | mu-opioid receptor antagonists |
Disease | Relation | SNOMED_ID | DOID |
---|---|---|---|
Opioid dependence | indication | 75544000 | DOID:2559 |
None
None
Dissociation level | Dissociation constant | Type (acidic/basic) |
---|---|---|
pKa1 | 8.83 | Basic |
None
None
Target | Class | Pharos | UniProt | Action | Type | Activity value (-log[M]) | Mechanism action | Bioact source | MoA source |
---|---|---|---|---|---|---|---|---|---|
Mu-type opioid receptor | GPCR | AGONIST | WOMBAT-PK | CHEMBL | |||||
Potassium voltage-gated channel subfamily H member 2 | Ion channel | IC50 | 5.66 | CHEMBL |
ID | Source |
---|---|
4020836 | VUID |
N0000179426 | NUI |
D00840 | KEGG_DRUG |
43033-72-3 | SECONDARY_CAS_RN |
14019-10-4 | SECONDARY_CAS_RN |
4020836 | VANDF |
4020848 | VANDF |
CHEBI:6441 | CHEBI |
CHEMBL1514 | ChEMBL_ID |
CHEMBL1200817 | ChEMBL_ID |
7212 | IUPHAR_LIGAND_ID |
3175 | INN_ID |
DB01227 | DRUGBANK_ID |
R3B637Y991 | UNII |
218943 | RXNORM |
3114 | MMSL |
4973 | MMSL |
d03187 | MMSL |
004753 | NDDF |
004754 | NDDF |
007409 | NDDF |
108375002 | SNOMEDCT_US |
108378000 | SNOMEDCT_US |
409482006 | SNOMEDCT_US |
C3536876 | UMLSCUI |
D008692 | MESH_DESCRIPTOR_UI |
15130 | PUBCHEM_CID |
None