| Stem definition | Drug id | CAS RN |
|---|---|---|
| 1446 | 125974-72-3 |
| Molecule | Description |
|---|---|
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| Property | Value | Reference |
|---|---|---|
| Vd (Volume of distribution) | 11 L/kg | Lombardo F, Berellini G, Obach RS |
| CL (Clearance) | 18 mL/min/kg | Lombardo F, Berellini G, Obach RS |
| t_half (Half-life) | 19 hours | Lombardo F, Berellini G, Obach RS |
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| Dissociation level | Dissociation constant | Type (acidic/basic) |
|---|---|---|
| pKa1 | 9.54 | acidic |
| pKa2 | 12.71 | acidic |
| pKa3 | 8.91 | Basic |
| pKa4 | 4.47 | Basic |
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| Target | Class | Pharos | UniProt | Action | Type | Activity value (-log[M]) | Mechanism action | Bioact source | MoA source |
|---|---|---|---|---|---|---|---|---|---|
| DNA topoisomerase 2-alpha | Enzyme | IC50 | 5.82 | WOMBAT-PK | |||||
| DNA topoisomerase I, mitochondrial | Enzyme | IC50 | 6.52 | WOMBAT-PK | |||||
| DNA topoisomerase 1 | Enzyme | IC50 | 6.52 | WOMBAT-PK |
| ID | Source |
|---|---|
| C0217476 | UMLSCUI |
| CHEBI:135474 | CHEBI |
| CHEMBL1908351 | ChEMBL_ID |
| DB12868 | DRUGBANK_ID |
| C081834 | MESH_SUPPLEMENTAL_RECORD_UI |
| 65954 | PUBCHEM_CID |
| 6947 | INN_ID |
| FB2CIN6HMI | UNII |
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