| Stem definition | Drug id | CAS RN |
|---|---|---|
| 412 | 521-74-4 |
| Dose | Unit | Route |
|---|---|---|
| 0.10 | g | V |
None
None
None
None
None
None
| Source | Code | Description |
|---|---|---|
| ATC | A07AX01 | ALIMENTARY TRACT AND METABOLISM ANTIDIARRHEALS, INTESTINAL ANTIINFLAMMATORY/ANTIINFECTIVE AGENTS INTESTINAL ANTIINFECTIVES Other intestinal antiinfectives |
| ATC | G01AC06 | GENITO URINARY SYSTEM AND SEX HORMONES GYNECOLOGICAL ANTIINFECTIVES AND ANTISEPTICS ANTIINFECTIVES AND ANTISEPTICS, EXCL. COMBINATIONS WITH CORTICOSTEROIDS Quinoline derivatives |
| ATC | P01AA01 | ANTIPARASITIC PRODUCTS, INSECTICIDES AND REPELLENTS ANTIPROTOZOALS AGENTS AGAINST AMOEBIASIS AND OTHER PROTOZOAL DISEASES Hydroxyquinoline derivatives |
None
None
None
| Dissociation level | Dissociation constant | Type (acidic/basic) |
|---|---|---|
| pKa1 | 7.55 | acidic |
| pKa2 | 2.9 | Basic |
None
None
| Target | Class | Pharos | UniProt | Action | Type | Activity value (-log[M]) | Mechanism action | Bioact source | MoA source |
|---|---|---|---|---|---|---|---|---|---|
| Catechol O-methyltransferase | Enzyme | IC50 | 5.39 | CHEMBL |
| ID | Source |
|---|---|
| D07109 | KEGG_DRUG |
| C0054157 | UMLSCUI |
| CHEBI:109543 | CHEBI |
| CHEMBL223448 | ChEMBL_ID |
| DB13536 | DRUGBANK_ID |
| C002276 | MESH_SUPPLEMENTAL_RECORD_UI |
| 2453 | PUBCHEM_CID |
| 1244 | INN_ID |
| UK4C618C8T | UNII |
| 006332 | NDDF |
None