Stem definition | Drug id | CAS RN |
---|---|---|
neuromuscular blocking agents with rigid structure | 109 | 23214-96-2 |
None
Property | Value | Reference |
---|---|---|
MRTD (Maximum Recommended Therapeutic Daily Dose) | 0.37 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) | 0.32 L/kg | Lombardo F, Berellini G, Obach RS |
CL (Clearance) | 1.30 mL/min/kg | Lombardo F, Berellini G, Obach RS |
t_half (Half-life) | 3.60 hours | Lombardo F, Berellini G, Obach RS |
Date | Agency | Company | Orphan |
---|---|---|---|
Jan. 1, 1963 | YEAR INTRODUCED |
None
None
None
None
Source | Code | Description |
---|---|---|
ATC | M03AA01 | MUSCULO-SKELETAL SYSTEM MUSCLE RELAXANTS MUSCLE RELAXANTS, PERIPHERALLY ACTING AGENTS Curare alkaloids |
MeSH PA | D000759 | Adjuvants, Anesthesia |
MeSH PA | D002491 | Central Nervous System Agents |
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:51371 | muscle relaxants |
None
None
None
Dissociation level | Dissociation constant | Type (acidic/basic) |
---|---|---|
pKa1 | 13.87 | acidic |
pKa2 | 8.61 | Basic |
None
None
Target | Class | Pharos | UniProt | Action | Type | Activity value (-log[M]) | Mechanism action | Bioact source | MoA source |
---|---|---|---|---|---|---|---|---|---|
Muscarinic acetylcholine receptor M1 | GPCR | ALLOSTERIC MODULATOR | Kd | 5 | IUPHAR | ||||
Muscarinic acetylcholine receptor M2 | GPCR | ALLOSTERIC MODULATOR | Kd | 6.90 | IUPHAR | ||||
Muscarinic acetylcholine receptor M3 | GPCR | ALLOSTERIC MODULATOR | Kd | 5.80 | IUPHAR | ||||
Muscarinic acetylcholine receptor M4 | GPCR | Ki | 5.60 | WOMBAT-PK | |||||
Neuronal acetylcholine receptor subunit alpha-2 | Ion channel | Ki | 4.72 | WOMBAT-PK | |||||
Neuronal acetylcholine receptor subunit alpha-7 | Ion channel | Ki | 5.96 | WOMBAT-PK | |||||
Acetylcholine receptor | Ion channel | WOMBAT-PK | |||||||
Neuronal acetylcholine receptor; alpha4/beta4 | Ion channel | IC50 | 4.35 | WOMBAT-PK | |||||
Muscarinic acetylcholine receptor M2 | GPCR | EC50 | 8.70 | CHEMBL |
ID | Source |
---|---|
N0000166958 | NUI |
D01215 | KEGG_DRUG |
15180-03-7 | SECONDARY_CAS_RN |
460 | RXNORM |
C0001981 | UMLSCUI |
CHEBI:55313 | CHEBI |
CHEMBL3305985 | ChEMBL_ID |
CHEMBL1180293 | ChEMBL_ID |
D000443 | MESH_DESCRIPTOR_UI |
DB13648 | DRUGBANK_ID |
341 | IUPHAR_LIGAND_ID |
S8U3J5W06N | UNII |
21158560 | PUBCHEM_CID |
350063006 | SNOMEDCT_US |
395958004 | SNOMEDCT_US |
CHEMBL3188339 | ChEMBL_ID |
2166 | INN_ID |
003922 | NDDF |
004815 | NDDF |
None