| Stem definition | Drug id | CAS RN |
|---|---|---|
| quaternary ammonium compounds | 4376 | 6707-58-0 |
| Dose | Unit | Route |
|---|---|---|
| 20 | mg | V |
| 1.50 | mg | O |
None
None
| MedDRA adverse event term | Likelihood ratio | Likelihood ratio threshold | Patients taking drug having adverse event | Patients taking drug not having adverse event | Patients not taking drug having adverse event | Patients not taking drug not having adverse event |
|---|---|---|---|---|---|---|
| Inflammatory marker increased | 103.05 | 59.62 | 20 | 386 | 6819 | 63481797 |
| MedDRA adverse event term | Likelihood ratio | Likelihood ratio threshold | Patients taking drug having adverse event | Patients taking drug not having adverse event | Patients not taking drug having adverse event | Patients not taking drug not having adverse event |
|---|---|---|---|---|---|---|
| Transposition of the great vessels | 71.93 | 57.42 | 9 | 79 | 460 | 34956383 |
| MedDRA adverse event term | Likelihood ratio | Likelihood ratio threshold | Patients taking drug having adverse event | Patients taking drug not having adverse event | Patients not taking drug having adverse event | Patients not taking drug not having adverse event |
|---|---|---|---|---|---|---|
| Inflammatory marker increased | 64.04 | 44.45 | 14 | 389 | 10726 | 79733259 |
None
| Source | Code | Description |
|---|---|---|
| ATC | D08AH01 | DERMATOLOGICALS ANTISEPTICS AND DISINFECTANTS ANTISEPTICS AND DISINFECTANTS Quinoline derivatives |
| ATC | G01AC05 | GENITO URINARY SYSTEM AND SEX HORMONES GYNECOLOGICAL ANTIINFECTIVES AND ANTISEPTICS ANTIINFECTIVES AND ANTISEPTICS, EXCL. COMBINATIONS WITH CORTICOSTEROIDS Quinoline derivatives |
| ATC | R02AA02 | RESPIRATORY SYSTEM THROAT PREPARATIONS THROAT PREPARATIONS Antiseptics |
| MeSH PA | D000890 | Anti-Infective Agents |
| MeSH PA | D000891 | Anti-Infective Agents, Local |
| CHEBI has role | CHEBI:35610 | antineoplastic agents |
| CHEBI has role | CHEBI:35718 | antifungal agents |
| CHEBI has role | CHEBI:38498 | mitochondrial complex I inhibitors |
| CHEBI has role | CHEBI:48218 | antiseptics |
None
None
None
| Dissociation level | Dissociation constant | Type (acidic/basic) |
|---|---|---|
| pKa1 | 4.92 | Basic |
| pKa2 | 4.32 | Basic |
None
None
| Target | Class | Pharos | UniProt | Action | Type | Activity value (-log[M]) | Mechanism action | Bioact source | MoA source |
|---|---|---|---|---|---|---|---|---|---|
| Protein kinase C alpha type | Kinase | IC50 | 4.96 | CHEMBL | |||||
| Small conductance calcium-activated potassium channel protein 3 | Ion channel | IC50 | 5.89 | CHEMBL | |||||
| Small conductance calcium-activated potassium channel protein 1 | Ion channel | BLOCKER | IC50 | 6.40 | IUPHAR | ||||
| cGMP-gated cation channel alpha-1 | Ion channel | BLOCKER | IC50 | 6.70 | IUPHAR | ||||
| Cyclic nucleotide-gated olfactory channel | Ion channel | BLOCKER | IC50 | 5.60 | IUPHAR | ||||
| Small conductance calcium-activated potassium channel protein 3 | Ion channel | Ki | 6.85 | CHEMBL | |||||
| Small conductance calcium-activated potassium channel protein 2 | Ion channel | BLOCKER | IC50 | 6.80 | IUPHAR |
| ID | Source |
|---|---|
| D01575 | KEGG_DRUG |
| N0000166911 | NUI |
| C0011588 | UMLSCUI |
| CHEBI:31466 | CHEBI |
| DEQ | PDB_CHEM_ID |
| CHEMBL333826 | ChEMBL_ID |
| DB04209 | DRUGBANK_ID |
| 2313 | IUPHAR_LIGAND_ID |
| 522-51-0 | SECONDARY_CAS_RN |
| E7QC7V26B8 | UNII |
| 2993 | PUBCHEM_CID |
| 3120 | RXNORM |
| 003481 | NDDF |
| 004966 | NDDF |
| 350274005 | SNOMEDCT_US |
| 395964006 | SNOMEDCT_US |
| 396013001 | SNOMEDCT_US |
| D003868 | MESH_DESCRIPTOR_UI |
| CHEMBL121663 | ChEMBL_ID |
| 746 | INN_ID |
None