| Stem definition | Drug id | CAS RN |
|---|---|---|
| quaternary ammonium compounds | 3995 | 76144-81-5 |
None
| Property | Value | Reference |
|---|---|---|
| Vd (Volume of distribution) | 0.70 L/kg | Lombardo F, Berellini G, Obach RS |
| CL (Clearance) | 2.80 mL/min/kg | Lombardo F, Berellini G, Obach RS |
| t_half (Half-life) | 6.20 hours | Lombardo F, Berellini G, Obach RS |
None
None
None
None
None
| Source | Code | Description |
|---|---|---|
| ATC | C01EB22 | CARDIOVASCULAR SYSTEM CARDIAC THERAPY OTHER CARDIAC PREPARATIONS Other cardiac preparations |
| MeSH PA | D000276 | Adjuvants, Immunologic |
| MeSH PA | D002317 | Cardiovascular Agents |
| MeSH PA | D007155 | Immunologic Factors |
| CHEBI has role | CHEBI:63726 | neuroprotective agents |
| CHEBI has role | CHEBI:77307 | cardioprotective agents |
| CHEBI has role | CHEBI:131844 | 4-trimethylammoniobutanoate,2-oxoglutarate:oxygen oxidoreductase (3-hydroxylating) inhibitor |
None
None
None
| Dissociation level | Dissociation constant | Type (acidic/basic) |
|---|---|---|
| pKa1 | 3.14 | acidic |
| pKa2 | 9.75 | Basic |
None
None
| Target | Class | Pharos | UniProt | Action | Type | Activity value (-log[M]) | Mechanism action | Bioact source | MoA source |
|---|---|---|---|---|---|---|---|---|---|
| Gamma-butyrobetaine dioxygenase | Enzyme | Ki | 4.80 | CHEMBL |
| ID | Source |
|---|---|
| D10504 | KEGG_DRUG |
| CHEBI:131843 | CHEBI |
| CHEMBL2104708 | ChEMBL_ID |
| C050147 | MESH_SUPPLEMENTAL_RECORD_UI |
| 8180 | INN_ID |
| DB13723 | DRUGBANK_ID |
| 73H7UDN6EC | UNII |
| C0047115 | UMLSCUI |
| REE | PDB_CHEM_ID |
| 123868 | PUBCHEM_CID |
None