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tubocurarine 🐶 Veterinary Use | Indications/Contra | FAERs-F | FAERs-M | Orange Bk | PK/Tox | Related Drugs | BioActivity |
| Stem definition | Drug id | CAS RN |
|---|---|---|
| 2781 | 57-94-3 |
Description:
| Molecule | Description |
|---|---|
|
Synonyms:
|
A neuromuscular blocker and active ingredient in CURARE; plant based alkaloid of Menispermaceae.
Legend: OFP - off patent OFM - off market ONP - on patent |
Drug dosage:
None
ADMET properties:
| Property | Value | Reference |
|---|---|---|
| BDDCS (Biopharmaceutical Drug Disposition Classification System) | 3 | Benet LZ, Broccatelli F, Oprea TI |
| S (Water solubility) | 50 mg/mL | Benet LZ, Broccatelli F, Oprea TI |
| EoM (Fraction excreted unchanged in urine) | 63 % | Benet LZ, Broccatelli F, Oprea TI |
| MRTD (Maximum Recommended Therapeutic Daily Dose) | 1.09 µM/kg/day | Contrera JF, Matthews EJ, Kruhlak NL, Benz RD |
| Vd (Volume of distribution) | 0.45 L/kg | Lombardo F, Berellini G, Obach RS |
| CL (Clearance) | 3.40 mL/min/kg | Lombardo F, Berellini G, Obach RS |
| fu (Fraction unbound in plasma) | 0.58 % | Lombardo F, Berellini G, Obach RS |
| t_half (Half-life) | 2 hours | Lombardo F, Berellini G, Obach RS |
| BA (Bioavailability) | 0 % |
Predicted pharmacokinetic/toxicological properties (PK-AZ):
| Property | Description | Value | Unit | Confidence | Similarity |
|---|---|---|---|---|---|
| azlogd74 | LogD at pH 7.4 | 0.253 | Moderate | 0.70 | |
| caco2-efflux | Caco-2 efflux ratio (BA/AB) | 6.152 | Moderate | 0.70 | |
| caco2-intrinsic-papp | Caco-2 intrinsic apparent permeability | 1.982 | 10^-6 cm/s | Moderate | 0.70 |
| dh-clint | Dog hepatocyte intrinsic clearance | 8.128 | uL/min/10^6 cells | Moderate | 0.70 |
| dppb | Dog plasma protein binding (% unbound) | 45.920 | % | Moderate | 0.70 |
| fcs-ppb | Fetal calf serum protein binding (% unbound) | 53.280 | % | Moderate | 0.70 |
| herg | hERG pIC50 | 4.503 | pIC50 | Moderate | 0.70 |
| hh-clint | Human hepatocyte intrinsic clearance | 3.622 | uL/min/10^6 cells | Moderate | 0.70 |
| hlm-clint | Human liver microsomal intrinsic clearance | 3.459 | uL/min/mg protein | Moderate | 0.70 |
| hppb | Human plasma protein binding (% unbound) | 42.460 | % | Moderate | 0.70 |
| mdck-mdr1-efflux | MDCK-MDR1 efflux ratio | 6.109 | Moderate | 0.70 | |
| mh-clint | Mouse hepatocyte intrinsic clearance | 34.674 | Moderate | 0.70 | |
| mppb | Mouse plasma protein binding (% unbound) | 35.520 | Moderate | 0.70 | |
| nih-mdck-mdr1-efflux | NIH MDCK-MDR1 efflux ratio | 9.204 | Moderate | 0.70 | |
| pfas-class | PFAS structural alert (1 = True, 0 = False) | 0 | |||
| pppb | Pig plasma protein binding (% unbound) | 64.540 | % | Moderate | 0.70 |
| rh-clint | Rat hepatocyte intrinsic clearance | 36.559 | uL/min/10^6 cells | Moderate | 0.70 |
| rh-fuinc | Rat hepatocyte fraction unbound in incubation | 73.860 | % | Moderate | 0.70 |
| rppb | Rat plasma protein binding (% unbound) | 45.520 | % | Moderate | 0.70 |
| solubility-dd | Solubility at pH 7.4 in DMSO | 944.061 | uM | Moderate | 0.70 |
Approvals:
| Date | Agency | Company | Orphan |
|---|---|---|---|
| Feb. 20, 1945 | FDA | BRISTOL MYERS SQUIBB |
FDA Adverse Event Reporting System (Female)
None
FDA Adverse Event Reporting System (Male)
None
FDA Adverse Event Reporting System (Geriatric)
None
FDA Adverse Event Reporting System (Pediatric)
None
Pharmacologic Action:
| Source | Code | Description |
|---|---|---|
| ATC | M03AA02 | MUSCULO-SKELETAL SYSTEM MUSCLE RELAXANTS MUSCLE RELAXANTS, PERIPHERALLY ACTING AGENTS Curare alkaloids |
| MeSH PA | D003473 | Neuromuscular Nondepolarizing Agents |
| MeSH PA | D009465 | Neuromuscular Agents |
| MeSH PA | D018377 | Neurotransmitter Agents |
| MeSH PA | D018678 | Cholinergic Agents |
| MeSH PA | D018680 | Cholinergic Antagonists |
| MeSH PA | D018733 | Nicotinic Antagonists |
| CHEBI has role | CHEBI:48878 | nicotinic antagonist |
| CHEBI has role | CHEBI:51371 | muscle relaxant |
| CHEBI has role | CHEBI:88188 | drug allergen |
Related Drugs by ATC class:
M03AA Curare alkaloids 2 drugs
Drug Use | Suggest Off label Use Form| |View source of the data|
| Disease | Relation | SNOMED_ID | DOID |
|---|---|---|---|
| Muscle relaxation, function | indication | 11977004 |
🐶 Veterinary Drug Use
None
🐶 Veterinary products
None
Acid dissociation constants calculated using MoKa v3.0.0
| Dissociation level | Dissociation constant | Type (acidic/basic) |
|---|---|---|
| pKa1 | 8.14 | acidic |
| pKa2 | 9.23 | acidic |
| pKa3 | 8.6 | Basic |
Orange Book patent data (new drug applications)
None
Orange Book exclusivity data (new drug applications)
None
Bioactivity Summary:
| Target | Class | Pharos | UniProt | Action | Type | Activity value (-log[M]) | Mechanism action | Bioact source | MoA source |
|---|---|---|---|---|---|---|---|---|---|
| Acetylcholine receptor | Ion channel | ANTAGONIST | IC50 | 7.62 | WOMBAT-PK | CHEMBL | |||
| 5-hydroxytryptamine receptor 3A | Ion channel | Ki | 7.06 | WOMBAT-PK | |||||
| Neuronal acetylcholine receptor subunit alpha-7 | Ion channel | IC50 | 5.51 | CHEMBL | |||||
| Small conductance calcium-activated potassium channel protein 3 | Ion channel | BLOCKER | IC50 | 4.50 | IUPHAR | ||||
| Small conductance calcium-activated potassium channel protein 2 | Ion channel | BLOCKER | IC50 | 5.70 | IUPHAR | ||||
| Zinc-activated ligand-gated ion channel | Ion channel | IC50 | 5.20 | CHEMBL | |||||
| Solute carrier family 22 member 2 | Transporter | IC50 | 4.10 | CHEMBL | |||||
| Multidrug and toxin extrusion protein 1 | Transporter | IC50 | 5.03 | CHEMBL | |||||
| Multidrug and toxin extrusion protein 2 | Transporter | IC50 | 4.26 | CHEMBL | |||||
| Neuronal acetylcholine receptor; alpha2/beta2 | Ion channel | IC50 | 7.38 | WOMBAT-PK | |||||
| Neuronal acetylcholine receptor; alpha4/beta2 | Ion channel | Ki | 5.58 | WOMBAT-PK | |||||
| Neuronal acetylcholine receptor; alpha3/beta4 | Ion channel | IC50 | 5.70 | CHEMBL | |||||
| Neuronal acetylcholine receptor; alpha4/beta4 | Ion channel | Ki | 6.07 | WOMBAT-PK | |||||
| Acetylcholine receptor; alpha1/beta1/delta/gamma | Ion channel | IC50 | 7.09 | CHEMBL | |||||
| Serotonin 3 receptor (5HT3) | Ion channel | ANTAGONIST | Ki | 4.50 | IUPHAR | ||||
| Small conductance calcium-activated potassium channel protein 1 | Ion channel | BLOCKER | IC50 | 4.60 | IUPHAR | ||||
| GABA-A receptor; anion channel | Ion channel | IC50 | 4.24 | CHEMBL | |||||
| Muscarinic acetylcholine receptor M2 | GPCR | Ki | 7.01 | WOMBAT-PK | |||||
| Neuronal acetylcholine receptor subunit alpha-7 | Ion channel | Ki | 5.32 | CHEMBL | |||||
| Small conductance calcium-activated potassium channel protein 3 | Ion channel | Ki | 5.04 | CHEMBL | |||||
| 5-hydroxytryptamine receptor 3A | Ion channel | ANTAGONIST | Ki | 7.10 | IUPHAR | ||||
| Acetylcholine receptor subunit alpha | Ion channel | IC50 | 5.22 | CHEMBL | |||||
| Nicotinic acetylcholine receptor alpha 5 subunit | Ion channel | Ki | 5.73 | CHEMBL | |||||
| Neuronal acetylcholine receptor; alpha4/beta2 | Ion channel | Ki | 5.01 | CHEMBL | |||||
| Small conductance calcium-activated potassium channel protein 2 | Ion channel | BLOCKER | IC50 | 5.60 | IUPHAR |
External reference:
| ID | Source |
|---|---|
| 4019965 | VUID |
| N0000148050 | NUI |
| D08655 | KEGG_DRUG |
| 57-95-4 | SECONDARY_CAS_RN |
| 6989-98-6 | SECONDARY_CAS_RN |
| 4017476 | VANDF |
| 4019965 | VANDF |
| C0041345 | UMLSCUI |
| CHEBI:9774 | CHEBI |
| TC9 | PDB_CHEM_ID |
| CHEMBL339427 | ChEMBL_ID |
| CHEMBL3989821 | ChEMBL_ID |
| CHEMBL2063769 | ChEMBL_ID |
| D014403 | MESH_DESCRIPTOR_UI |
| DB01199 | DRUGBANK_ID |
| 2294 | IUPHAR_LIGAND_ID |
| W9YXS298BM | UNII |
| 6000 | PUBCHEM_CID |
| 10917 | RXNORM |
| 3097 | MMSL |
| 5649 | MMSL |
| d00949 | MMSL |
| 002399 | NDDF |
| 002400 | NDDF |
| 25141001 | SNOMEDCT_US |
| 373486008 | SNOMEDCT_US |
| 37803001 | SNOMEDCT_US |
| W9YXS298BM | INXIGHT DRUGS |
Pharmaceutical products:
None