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| Stem definition | Drug id | CAS RN |
|---|---|---|
| quaternary ammonium compounds | 3024 | 33371-53-8 |
| Dose | Unit | Route |
|---|---|---|
| 0.20 | g | O |
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| Property | Description | Value | Unit | Confidence | Similarity |
|---|---|---|---|---|---|
| kinase-safety-class | ACVR2B,AXL,BRAF,BTK,CAMK2B,CAMK2D,CDK5,CDK9,EIF2AK3,EPHB4,ERBB2,GRK2,ITK,MAPK7,NTRK2,PDK1,PDK2,PDK4,PIK3CB,PRKDC,TEK,TGFBR1 | 22 | |||
| kinase-selectivity-class | AXL,GRK2,PDK4 | 3 | |||
| pfas-class | PFAS structural alert (1 = True, 0 = False) | 0 |
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| Source | Code | Description |
|---|---|---|
| ATC | A03AB13 | ALIMENTARY TRACT AND METABOLISM DRUGS FOR FUNCTIONAL GASTROINTESTINAL DISORDERS DRUGS FOR FUNCTIONAL GASTROINTESTINAL DISORDERS Synthetic anticholinergics, quaternary ammonium compounds |
| ATC | A03CA06 | ALIMENTARY TRACT AND METABOLISM DRUGS FOR FUNCTIONAL GASTROINTESTINAL DISORDERS ANTISPASMODICS IN COMBINATION WITH PSYCHOLEPTICS Synthetic anticholinergic agents in combination with psycholeptics |
| ATC | A03DA03 | ALIMENTARY TRACT AND METABOLISM DRUGS FOR FUNCTIONAL GASTROINTESTINAL DISORDERS ANTISPASMODICS IN COMBINATION WITH ANALGESICS Synthetic anticholinergic agents in combination with analgesics |
| MeSH PA | D000700 | Analgesics |
| MeSH PA | D000893 | Anti-Inflammatory Agents |
| MeSH PA | D000894 | Anti-Inflammatory Agents, Non-Steroidal |
| MeSH PA | D018373 | Peripheral Nervous System Agents |
| MeSH PA | D018501 | Antirheumatic Agents |
| MeSH PA | D018689 | Sensory System Agents |
| MeSH PA | D018712 | Analgesics, Non-Narcotic |
None
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None
| Dissociation level | Dissociation constant | Type (acidic/basic) |
|---|---|---|
| pKa1 | 13.54 | acidic |
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| ID | Source |
|---|---|
| C0053533 | UMLSCUI |
| CHEBI:135495 | CHEBI |
| CHEMBL1882461 | ChEMBL_ID |
| DB13542 | DRUGBANK_ID |
| CHEMBL2106080 | ChEMBL_ID |
| C000002 | MESH_SUPPLEMENTAL_RECORD_UI |
| 31800 | PUBCHEM_CID |
| 5205-82-3 | SECONDARY_CAS_RN |
| 34B0471E08 | UNII |
| 2456 | INN_ID |
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