| Stem definition | Drug id | CAS RN |
|---|---|---|
| 3124 | 30964-13-7 |
None
| Property | Value | Reference |
|---|---|---|
| Vd (Volume of distribution) | 0.79 L/kg | Lombardo F, Berellini G, Obach RS |
| CL (Clearance) | 8.70 mL/min/kg | Lombardo F, Berellini G, Obach RS |
| t_half (Half-life) | 1.37 hours | Lombardo F, Berellini G, Obach RS |
None
None
None
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| Source | Code | Description |
|---|---|---|
| CHEBI has role | CHEBI:76924 | plant metabolites |
| MeSH PA | D002756 | Cholagogues and Choleretics |
| MeSH PA | D005765 | Gastrointestinal Agents |
None
None
None
| Dissociation level | Dissociation constant | Type (acidic/basic) |
|---|---|---|
| pKa1 | 2.44 | acidic |
| pKa2 | 7.7 | acidic |
| pKa3 | 8.31 | acidic |
| pKa4 | 9.91 | acidic |
| pKa5 | 12.24 | acidic |
| pKa6 | 12.84 | acidic |
None
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| Target | Class | Pharos | UniProt | Action | Type | Activity value (-log[M]) | Mechanism action | Bioact source | MoA source |
|---|---|---|---|---|---|---|---|---|---|
| Integrase | Enzyme | IC50 | 5.80 | CHEMBL |
| ID | Source |
|---|---|
| 85D81U9JAV | UNII |
| C0056848 | UMLSCUI |
| CHEBI:520 | CHEBI |
| CHEMBL2105478 | ChEMBL_ID |
| 5281769 | PUBCHEM_CID |
| CHEMBL487258 | ChEMBL_ID |
| 3276 | INN_ID |
| C100257 | MESH_SUPPLEMENTAL_RECORD_UI |
| C472707 | MESH_SUPPLEMENTAL_RECORD_UI |
| 212891-05-9 | SECONDARY_CAS_RN |
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