| 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