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| Stem definition | Drug id | CAS RN |
|---|---|---|
| quaternary ammonium compounds | 789 | 156-74-1 |
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| Property | Description | Value | Unit | Confidence | Similarity |
|---|---|---|---|---|---|
| kinase-safety-class | ACVR2A,ACVR2B,ACVRL1,AKT2,AKT3,ALK,AURKA,AXL,BRAF,BTK,CAMK2B,CAMK2D,CDK4,CDK5,CDK9,DDR1,DYRK1B,EGFR,EIF2AK3,EPHB4,ERBB2,FLT3,GRK2,GSK3B,IKBKB,ITK,JAK1,JAK2,JAK3,MAP2K6,MAP3K21,MAP3K7,MAPK10,MAPK7,MAPK9,MAPKAPK2,MET,MTOR,NTRK2,PDK1,PDK2,PDK4,PDPK1,PIK3CB,PIK3CG,PIM2,PLK1,PRKCD,PRKDC,SIK2,SIK3,STK33,SYK,TEK,TGFBR1,TTK,ULK1,ZAP70 | 58 | |||
| kinase-selectivity-class | AXL,BRAF,CAMK2A,CAMK2D,CDK4,EIF2AK3,EPHA2,EPHB4,FLT3,GAK,INSR,LRRK2,MAP2K6,MAP3K7,MAP3K9,MAPK10,MAPK7,MTOR,PLK1,PLK2,PLK3,PRKCD,PTK2,SIK2,STK33,TEK | 26 | |||
| pfas-class | PFAS structural alert (1 = True, 0 = False) | 0 |
| Date | Agency | Company | Orphan |
|---|---|---|---|
| May 21, 1975 | FDA |
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| Source | Code | Description |
|---|---|---|
| MeSH PA | D009465 | Neuromuscular Agents |
| MeSH PA | D009466 | Neuromuscular Blocking Agents |
| MeSH PA | D009467 | Neuromuscular Depolarizing Agents |
| MeSH PA | D018373 | Peripheral Nervous System Agents |
| CHEBI has role | CHEBI:47958 | nicotinic acetylcholine receptor agonist |
| CHEBI has role | CHEBI:51371 | muscle relaxant |
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| Target | Class | Pharos | UniProt | Action | Type | Activity value (-log[M]) | Mechanism action | Bioact source | MoA source |
|---|---|---|---|---|---|---|---|---|---|
| Muscle-type nicotinic acetylcholine receptor | Ion channel | PARTIAL AGONIST | CHEMBL | CHEMBL | |||||
| Muscarinic acetylcholine receptor M2 | GPCR | Ki | 7.60 | PDSP | |||||
| Acetylcholinesterase | Enzyme | IC50 | 5.23 | CHEMBL | |||||
| Histamine H3 receptor | GPCR | IC50 | 6.09 | CHEMBL | |||||
| Acetylcholinesterase | Enzyme | Ki | 5.46 | CHEMBL | |||||
| Neuronal acetylcholine receptor; alpha4/beta2 | Ion channel | Ki | 5.24 | CHEMBL |
| ID | Source |
|---|---|
| C0057231 | UMLSCUI |
| CHEBI:41934 | CHEBI |
| CHEMBL1190 | ChEMBL_ID |
| DB01245 | DRUGBANK_ID |
| CHEMBL1134 | ChEMBL_ID |
| C033019 | MESH_SUPPLEMENTAL_RECORD_UI |
| 2968 | PUBCHEM_CID |
| 541-22-0 | SECONDARY_CAS_RN |
| C1CG1S3T2W | UNII |
| 002403 | NDDF |
| 004957 | NDDF |
| 39514001 | SNOMEDCT_US |
| DME | PDB_CHEM_ID |
| 1397 | INN_ID |
| C1CG1S3T2W | INXIGHT DRUGS |
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