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| Stem definition | Drug id | CAS RN |
|---|---|---|
| quaternary ammonium compounds | 1366 | 60-26-4 |
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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,ITK,JAK1,JAK2,JAK3,MAP2K6,MAP3K21,MAP3K7,MAPK10,MAPK7,MAPK9,MAPKAPK2,MET,MTOR,NTRK2,PDK1,PDK2,PDK4,PDPK1,PIK3CB,PIK3CD,PIK3CG,PIM2,PLK1,PRKCD,PRKDC,SIK2,SIK3,STK33,SYK,TEK,TGFBR1,TTK,ULK1,ZAP70 | 58 | |||
| kinase-selectivity-class | AXL,BRAF,CAMK2A,CAMK2D,CDK4,EIF2AK3,EPHB4,FLT3,MAP3K7,MAP3K9,MAPK10,MAPK7,PLK1,PRKCD,PTK2,SIK2,STK33,TEK | 18 | |||
| pfas-class | PFAS structural alert (1 = True, 0 = False) | 0 |
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| Source | Code | Description |
|---|---|---|
| MeSH PA | D000959 | Antihypertensive Agents |
| MeSH PA | D002317 | Cardiovascular Agents |
| MeSH PA | D005730 | Ganglionic Blockers |
| MeSH PA | D018377 | Neurotransmitter Agents |
| MeSH PA | D018678 | Cholinergic Agents |
| MeSH PA | D018680 | Cholinergic Antagonists |
| MeSH PA | D018733 | Nicotinic Antagonists |
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| Target | Class | Pharos | UniProt | Action | Type | Activity value (-log[M]) | Mechanism action | Bioact source | MoA source |
|---|---|---|---|---|---|---|---|---|---|
| Neuronal acetylcholine receptor; alpha4/beta2 | Ion channel | IC50 | 4.54 | CHEMBL | |||||
| Neuronal acetylcholine receptor; alpha4/beta4 | Ion channel | IC50 | 4.04 | CHEMBL | |||||
| Neuronal acetylcholine receptor subunit alpha-4 | Ion channel | BLOCKER | IC50 | 5.17 | IUPHAR | ||||
| Neuronal acetylcholine receptor subunit alpha-6 | Ion channel | BLOCKER | IC50 | 4.04 | IUPHAR | ||||
| Neuronal acetylcholine receptor; alpha4/beta2 | Ion channel | Ki | 4.66 | CHEMBL | |||||
| Acetylcholine receptor | Ion channel | Kd | 5.74 | CHEMBL |
| ID | Source |
|---|---|
| D02204 | KEGG_DRUG |
| C0062637 | UMLSCUI |
| CHEBI:5700 | CHEBI |
| CHEMBL100622 | ChEMBL_ID |
| DB08960 | DRUGBANK_ID |
| CHEMBL2106122 | ChEMBL_ID |
| CHEMBL332524 | ChEMBL_ID |
| D018738 | MESH_DESCRIPTOR_UI |
| 3604 | PUBCHEM_CID |
| 3963 | IUPHAR_LIGAND_ID |
| 55-97-0 | SECONDARY_CAS_RN |
| 3C9PSP36Z2 | UNII |
| 001772 | NDDF |
| 004717 | NDDF |
| 49839002 | SNOMEDCT_US |
| 2047 | INN_ID |
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