| Stem definition | Drug id | CAS RN |
|---|---|---|
| neuromuscular blocking agents with rigid structure | 2183 | 68399-58-6 |
None
| Property | Value | Reference |
|---|---|---|
| BDDCS (Biopharmaceutical Drug Disposition Classification System) | 3 | Benet LZ, Broccatelli F, Oprea TI |
| EoM (Fraction excreted unchanged in urine) | 39 % | Benet LZ, Broccatelli F, Oprea TI |
| MRTD (Maximum Recommended Therapeutic Daily Dose) | 0.12 ยตM/kg/day | Contrera JF, Matthews EJ, Kruhlak NL, Benz RD |
| Vd (Volume of distribution) | 0.35 L/kg | Lombardo F, Berellini G, Obach RS |
| CL (Clearance) | 3 mL/min/kg | Lombardo F, Berellini G, Obach RS |
| fu (Fraction unbound in plasma) | 0.98 % | Lombardo F, Berellini G, Obach RS |
| t_half (Half-life) | 1.90 hours | Lombardo F, Berellini G, Obach RS |
| Date | Agency | Company | Orphan |
|---|---|---|---|
| June 26, 1990 | FDA |
None
None
None
None
| Source | Code | Description |
|---|---|---|
| ATC | M03AC06 | MUSCULO-SKELETAL SYSTEM MUSCLE RELAXANTS MUSCLE RELAXANTS, PERIPHERALLY ACTING AGENTS Other quaternary ammonium compounds |
| MeSH PA | D018678 | Cholinergic Agents |
| MeSH PA | D018680 | Cholinergic Antagonists |
| MeSH PA | D009465 | Neuromuscular Agents |
| MeSH PA | D009466 | Neuromuscular Blocking Agents |
| MeSH PA | D003473 | Neuromuscular Nondepolarizing Agents |
| MeSH PA | D018377 | Neurotransmitter Agents |
| MeSH PA | D018733 | Nicotinic Antagonists |
| MeSH PA | D018373 | Peripheral Nervous System Agents |
| Disease | Relation | SNOMED_ID | DOID |
|---|---|---|---|
| Muscle relaxation, function | indication | 11977004 |
None
None
| Dissociation level | Dissociation constant | Type (acidic/basic) |
|---|---|---|
| pKa1 | 4.95 | Basic |
| pKa2 | 4.34 | Basic |
None
None
| Target | Class | Pharos | UniProt | Action | Type | Activity value (-log[M]) | Mechanism action | Bioact source | MoA source |
|---|---|---|---|---|---|---|---|---|---|
| Acetylcholine receptor | Ion channel | ANTAGONIST | WOMBAT-PK | CHEMBL | |||||
| Neuronal acetylcholine receptor; alpha2/beta4 | Ion channel | WOMBAT-PK | |||||||
| Neuronal acetylcholine receptor; alpha4/beta2 | Ion channel | WOMBAT-PK | |||||||
| Neuronal acetylcholine receptor; alpha4/beta4 | Ion channel | WOMBAT-PK |
| ID | Source |
|---|---|
| 4019895 | VUID |
| N0000147980 | NUI |
| D00764 | KEGG_DRUG |
| 52212-02-9 | SECONDARY_CAS_RN |
| 4019550 | VANDF |
| 4019895 | VANDF |
| C0071102 | UMLSCUI |
| CHEBI:8230 | CHEBI |
| CHEMBL1201206 | ChEMBL_ID |
| CHEMBL1200722 | ChEMBL_ID |
| D017300 | MESH_DESCRIPTOR_UI |
| DB01338 | DRUGBANK_ID |
| 1N3O74HM92 | UNII |
| 50192 | PUBCHEM_CID |
| 33742 | RXNORM |
| 5303 | MMSL |
| d00956 | MMSL |
| 003557 | NDDF |
| 013423 | NDDF |
| 108455007 | SNOMEDCT_US |
| 108456008 | SNOMEDCT_US |
| 373725008 | SNOMEDCT_US |
| 4645 | INN_ID |
None