| Stem definition | Drug id | CAS RN |
|---|---|---|
| quinoline derivatives | 174 | 3811-56-1 |
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| Dissociation level | Dissociation constant | Type (acidic/basic) |
|---|---|---|
| pKa1 | 11.93 | acidic |
| pKa2 | 12.51 | acidic |
| pKa3 | 8.85 | Basic |
| pKa4 | 8.25 | Basic |
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| Target | Class | Pharos | UniProt | Action | Type | Activity value (-log[M]) | Mechanism action | Bioact source | MoA source |
|---|---|---|---|---|---|---|---|---|---|
| Matrix metalloproteinase-9 | Enzyme | IC50 | 4 | CHEMBL | |||||
| Interstitial collagenase | Enzyme | IC50 | 4.51 | CHEMBL | |||||
| Lethal factor | Enzyme | Ki | 6.30 | CHEMBL | |||||
| Botulinum neurotoxin type A | Enzyme | IC50 | 5.14 | CHEMBL |
| ID | Source |
|---|---|
| 17747 | RXNORM |
| C0051675 | UMLSCUI |
| NSC | PDB_CHEM_ID |
| CHEMBL87223 | ChEMBL_ID |
| DB04452 | DRUGBANK_ID |
| C010850 | MESH_SUPPLEMENTAL_RECORD_UI |
| 71166 | PUBCHEM_CID |
| 63 | INN_ID |
| 08T7936572 | UNII |
| 006338 | NDDF |
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