Stem definition | Drug id | CAS RN |
---|---|---|
quaternary ammonium compounds | 908 | 5152-30-7 |
None
Property | Value | Reference |
---|---|---|
BDDCS (Biopharmaceutical Drug Disposition Classification System) | 3 | Benet LZ, Broccatelli F, Oprea TI |
S (Water solubility) | 3 mg/mL | Benet LZ, Broccatelli F, Oprea TI |
EoM (Fraction excreted unchanged in urine) | 50 % | Benet LZ, Broccatelli F, Oprea TI |
MRTD (Maximum Recommended Therapeutic Daily Dose) | 0.33 ยตM/kg/day | Contrera JF, Matthews EJ, Kruhlak NL, Benz RD |
Vd (Volume of distribution) | 0.40 L/kg | Lombardo F, Berellini G, Obach RS |
CL (Clearance) | 1.20 mL/min/kg | Lombardo F, Berellini G, Obach RS |
fu (Fraction unbound in plasma) | 0.65 % | Lombardo F, Berellini G, Obach RS |
t_half (Half-life) | 5.10 hours | Lombardo F, Berellini G, Obach RS |
Date | Agency | Company | Orphan |
---|---|---|---|
None | FDA | LILLY |
None
None
None
None
Source | Code | Description |
---|---|---|
ATC | M03AA04 | MUSCULO-SKELETAL SYSTEM MUSCLE RELAXANTS MUSCLE RELAXANTS, PERIPHERALLY ACTING AGENTS Curare alkaloids |
MeSH PA | D009465 | Neuromuscular Agents |
MeSH PA | D009466 | Neuromuscular Blocking Agents |
MeSH PA | D003473 | Neuromuscular Nondepolarizing Agents |
MeSH PA | D018373 | Peripheral Nervous System Agents |
Disease | Relation | SNOMED_ID | DOID |
---|---|---|---|
Muscle relaxation, function | indication | 11977004 |
None
None
None
None
None
Target | Class | Pharos | UniProt | Action | Type | Activity value (-log[M]) | Mechanism action | Bioact source | MoA source |
---|---|---|---|---|---|---|---|---|---|
Acetylcholine receptor | Ion channel | ANTAGONIST | IC50 | 7.75 | WOMBAT-PK | CHEMBL | |||
Neuronal acetylcholine receptor; alpha2/beta2 | Ion channel | WOMBAT-PK |
ID | Source |
---|---|
4017449 | VUID |
N0000145837 | NUI |
D00761 | KEGG_DRUG |
7601-55-0 | SECONDARY_CAS_RN |
35-67-6 | SECONDARY_CAS_RN |
203206 | RXNORM |
4017449 | VANDF |
CHEBI:6900 | CHEBI |
CU9 | PDB_CHEM_ID |
CHEMBL1259 | ChEMBL_ID |
CHEMBL1739 | ChEMBL_ID |
CHEMBL2105841 | ChEMBL_ID |
C032943 | MESH_SUPPLEMENTAL_RECORD_UI |
C015836 | MESH_SUPPLEMENTAL_RECORD_UI |
DB00416 | DRUGBANK_ID |
DB01336 | DRUGBANK_ID |
5100 | MMSL |
d00950 | MMSL |
002401 | NDDF |
004814 | NDDF |
1325004 | SNOMEDCT_US |
373781002 | SNOMEDCT_US |
89664002 | SNOMEDCT_US |
C0700566 | UMLSCUI |
21233 | PUBCHEM_CID |
O0U0E87X7F | UNII |
None