| Stem definition | Drug id | CAS RN |
|---|---|---|
| 889 | 1435-55-8 |
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| Property | Value | Reference |
|---|---|---|
| BDDCS (Biopharmaceutical Drug Disposition Classification System) | 1 | Benet LZ, Broccatelli F, Oprea TI |
| S (Water solubility) | 11.10 mg/mL | Benet LZ, Broccatelli F, Oprea TI |
| EoM (Fraction excreted unchanged in urine) | 18 % | Benet LZ, Broccatelli F, Oprea TI |
| MRTD (Maximum Recommended Therapeutic Daily Dose) | 30.82 ยตM/kg/day | Contrera JF, Matthews EJ, Kruhlak NL, Benz RD |
| Vd (Volume of distribution) | 2.80 L/kg | Lombardo F, Berellini G, Obach RS |
| CL (Clearance) | 4.20 mL/min/kg | Lombardo F, Berellini G, Obach RS |
| fu (Fraction unbound in plasma) | 0.22 % | Lombardo F, Berellini G, Obach RS |
| t_half (Half-life) | 5.70 hours | Lombardo F, Berellini G, Obach RS |
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None
None
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| Source | Code | Description |
|---|---|---|
| ATC | C01BA13 | CARDIOVASCULAR SYSTEM CARDIAC THERAPY ANTIARRHYTHMICS, CLASS I AND III Antiarrhythmics, class Ia |
| MeSH PA | D000889 | Anti-Arrhythmia Agents |
| MeSH PA | D002317 | Cardiovascular Agents |
| MeSH PA | D010276 | Parasympatholytics |
| MeSH PA | D018373 | Peripheral Nervous System Agents |
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| Dissociation level | Dissociation constant | Type (acidic/basic) |
|---|---|---|
| pKa1 | 12.89 | acidic |
| pKa2 | 8.86 | Basic |
| pKa3 | 4.1 | Basic |
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| Target | Class | Pharos | UniProt | Action | Type | Activity value (-log[M]) | Mechanism action | Bioact source | MoA source |
|---|---|---|---|---|---|---|---|---|---|
| Sodium channel protein type 5 subunit alpha | Ion channel | WOMBAT-PK | |||||||
| Sodium channel subunit beta-1 | Ion channel | WOMBAT-PK | |||||||
| Sodium channel subunit beta-2 | Ion channel | WOMBAT-PK | |||||||
| Sodium channel subunit beta-3 | Ion channel | WOMBAT-PK | |||||||
| Sodium channel subunit beta-4 | Ion channel | WOMBAT-PK | |||||||
| Potassium voltage-gated channel subfamily H member 2 | Ion channel | WOMBAT-PK |
| ID | Source |
|---|---|
| D08048 | KEGG_DRUG |
| 236160 | RXNORM |
| CHEBI:5792 | CHEBI |
| CHEMBL1906890 | ChEMBL_ID |
| CHEMBL2092739 | ChEMBL_ID |
| C014486 | MESH_SUPPLEMENTAL_RECORD_UI |
| 1476-98-8 | SECONDARY_CAS_RN |
| DB15300 | DRUGBANK_ID |
| 005252 | NDDF |
| 005253 | NDDF |
| 765387007 | SNOMEDCT_US |
| 765388002 | SNOMEDCT_US |
| C0063103 | UMLSCUI |
| 121515 | PUBCHEM_CID |
| 8P68XPY4HG | UNII |
None