| Stem definition | Drug id | CAS RN |
|---|---|---|
| neuromuscular blocking agents with rigid structure | 2052 | 15500-66-0 |
None
| Property | Value | Reference |
|---|---|---|
| BDDCS (Biopharmaceutical Drug Disposition Classification System) | 4 | Bocci G, Oprea TI, Benet LZ |
| EoM (Fraction excreted unchanged in urine) | 67 % | Benet LZ, Broccatelli F, Oprea TI |
| MRTD (Maximum Recommended Therapeutic Daily Dose) | 0.17 ยตM/kg/day | Contrera JF, Matthews EJ, Kruhlak NL, Benz RD |
| BA (Bioavailability) | 0 % | Kim MT, Sedykh A, Chakravarti SK, Saiakhov RD, Zhu H |
| Vd (Volume of distribution) | 0.20 L/kg | Lombardo F, Berellini G, Obach RS |
| CL (Clearance) | 1.50 mL/min/kg | Lombardo F, Berellini G, Obach RS |
| fu (Fraction unbound in plasma) | 0.09 % | Lombardo F, Berellini G, Obach RS |
| t_half (Half-life) | 1.90 hours | Lombardo F, Berellini G, Obach RS |
| S (Water solubility) | 0.00 mg/mL | Bocci G, Oprea TI, Benet LZ |
| Date | Agency | Company | Orphan |
|---|---|---|---|
| Oct. 24, 1972 | FDA |
| MedDRA adverse event term | Likelihood ratio | Likelihood ratio threshold | Patients taking drug having adverse event | Patients taking drug not having adverse event | Patients not taking drug having adverse event | Patients not taking drug not having adverse event |
|---|---|---|---|---|---|---|
| Labile blood pressure | 263.71 | 127.70 | 39 | 570 | 1750 | 63486663 |
| Hepatic ischaemia | 149.49 | 127.70 | 21 | 588 | 643 | 63487770 |
| Haematemesis | 148.53 | 127.70 | 38 | 571 | 30374 | 63458039 |
None
| MedDRA adverse event term | Likelihood ratio | Likelihood ratio threshold | Patients taking drug having adverse event | Patients taking drug not having adverse event | Patients not taking drug having adverse event | Patients not taking drug not having adverse event |
|---|---|---|---|---|---|---|
| Labile blood pressure | 243.57 | 101.96 | 39 | 966 | 2214 | 79741169 |
| Renal failure | 157.10 | 101.96 | 67 | 938 | 200901 | 79542482 |
| Hepatic ischaemia | 132.73 | 101.96 | 21 | 984 | 1094 | 79742289 |
| Haematemesis | 117.46 | 101.96 | 38 | 967 | 52226 | 79691157 |
| Hepatorenal syndrome | 110.70 | 101.96 | 22 | 983 | 4227 | 79739156 |
None
| Source | Code | Description |
|---|---|---|
| ATC | M03AC01 | 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 |
| CHEBI has role | CHEBI:48873 | acetylcholine receptor antagonist |
| CHEBI has role | CHEBI:48878 | nicotinic antagonists |
| CHEBI has role | CHEBI:51371 | muscle relaxants |
| FDA EPC | N0000175720 | Nondepolarizing Neuromuscular Blocker |
| FDA PE | N0000175732 | Neuromuscular Nondepolarizing Blockade |
| Disease | Relation | SNOMED_ID | DOID |
|---|---|---|---|
| Muscle relaxation, function | indication | 11977004 | |
| General anesthesia | indication | 50697003 | |
| Skeletal Muscle Relaxation for Endotracheal Intubation | indication | ||
| Asthenia | contraindication | 13791008 | |
| Disorder of lung | contraindication | 19829001 | DOID:850 |
| Renal failure syndrome | contraindication | 42399005 | DOID:1074 |
| Body fluid retention | contraindication | 43498006 | |
| Decreased cardiac function | contraindication | 43650005 | |
| Acidosis | contraindication | 51387008 | |
| Kidney disease | contraindication | 90708001 | DOID:557 |
| Myasthenia gravis | contraindication | 91637004 | DOID:437 |
| Disease of liver | contraindication | 235856003 | DOID:409 |
| Disorder of electrolytes | contraindication | 237840007 | |
| Carcinomatosis | contraindication | 307593001 | |
| Hypoxia | contraindication | 389086002 | |
| Obesity | contraindication | 414916001 | DOID:9970 |
| Complete Biliary Obstruction | contraindication |
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 | 8.20 | WOMBAT-PK | CHEMBL | |||
| Neuronal acetylcholine receptor; alpha4/beta2 | Ion channel | IC50 | 8.26 | WOMBAT-PK | |||||
| Acetylcholine receptor; alpha1/beta1/delta/gamma | Ion channel | IC50 | 7.09 | CHEMBL |
| ID | Source |
|---|---|
| 4018513 | VUID |
| N0000178946 | NUI |
| D00492 | KEGG_DRUG |
| 4018513 | VANDF |
| 4019874 | VANDF |
| C0030310 | UMLSCUI |
| CHEBI:7907 | CHEBI |
| CHEMBL185073 | ChEMBL_ID |
| CHEMBL1200757 | ChEMBL_ID |
| D010197 | MESH_DESCRIPTOR_UI |
| DB01337 | DRUGBANK_ID |
| 4001 | IUPHAR_LIGAND_ID |
| J76UF062FS | UNII |
| 441289 | PUBCHEM_CID |
| 7883 | RXNORM |
| 4541 | MMSL |
| 5228 | MMSL |
| d00330 | MMSL |
| 002405 | NDDF |
| 013421 | NDDF |
| 350064000 | SNOMEDCT_US |
| 373738000 | SNOMEDCT_US |
| 373764006 | SNOMEDCT_US |
| 2489 | INN_ID |
| 16974-53-1 | SECONDARY_CAS_RN |
| Product | Category | Ingredients | NDC | Form | Quantity | Route | Marketing | Label |
|---|---|---|---|---|---|---|---|---|
| Pancuronium Bromide | HUMAN PRESCRIPTION DRUG LABEL | 1 | 0409-4646 | INJECTION, SOLUTION | 1 mg | INTRAVENOUS | ANDA | 20 sections |