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| 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 |
| Property | Description | Value | Unit | Confidence | Similarity |
|---|---|---|---|---|---|
| kinase-safety-class | ACVR2B,AKT2,AKT3,AURKA,AXL,BRAF,BTK,CAMK2B,CAMK2D,CDK4,CDK5,CDK9,DDR1,DYRK1B,EIF2AK3,EPHB4,ERBB2,GRK2,GSK3B,ITK,JAK2,JAK3,MAP2K6,MAP3K7,MAPK10,MAPK7,MAPK9,MAPKAPK2,MET,NTRK2,PDK1,PDK2,PDK4,PDPK1,PIK3CA,PIK3CB,PIM2,PRKDC,SIK2,STK33,SYK,TEK,TGFBR1,TTK,ZAP70 | 45 | |||
| kinase-selectivity-class | EIF2AK3 | 1 | |||
| pfas-class | PFAS structural alert (1 = True, 0 = False) | 0 |
| 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 | 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:51371 | muscle relaxant |
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 |
| 460 | RXNORM |
| C0001981 | UMLSCUI |
| CHEMBL3305985 | ChEMBL_ID |
| CHEMBL3188339 | ChEMBL_ID |
| D000443 | MESH_DESCRIPTOR_UI |
| DB13648 | DRUGBANK_ID |
| 341 | IUPHAR_LIGAND_ID |
| 15180-03-7 | SECONDARY_CAS_RN |
| S8U3J5W06N | UNII |
| 21158560 | PUBCHEM_CID |
| CHEBI:55313 | CHEBI |
| 2166 | INN_ID |
| 003922 | NDDF |
| 004815 | NDDF |
| 350063006 | SNOMEDCT_US |
| 395958004 | SNOMEDCT_US |
| S8U3J5W06N | INXIGHT DRUGS |
None