| Stem definition | Drug id | CAS RN |
|---|---|---|
| quinoline derivatives | 1954 | 4008-48-4 |
| Molecule | Description |
|---|---|
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Synonyms:
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| Dose | Unit | Route |
|---|---|---|
| 1 | g | O |
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| Source | Code | Description |
|---|---|---|
| ATC | J01XX07 | ANTIINFECTIVES FOR SYSTEMIC USE ANTIBACTERIALS FOR SYSTEMIC USE OTHER ANTIBACTERIALS Other antibacterials |
| MeSH PA | D000890 | Anti-Infective Agents |
| MeSH PA | D000892 | Anti-Infective Agents, Urinary |
| MeSH PA | D000935 | Antifungal Agents |
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| Dissociation level | Dissociation constant | Type (acidic/basic) |
|---|---|---|
| pKa1 | 7.0 | acidic |
| pKa2 | 2.46 | Basic |
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| Target | Class | Pharos | UniProt | Action | Type | Activity value (-log[M]) | Mechanism action | Bioact source | MoA source |
|---|---|---|---|---|---|---|---|---|---|
| Prostaglandin G/H synthase 2 | Enzyme | Ki | 6 | CHEMBL | |||||
| Cathepsin B | Enzyme | Ki | 4.40 | CHEMBL | |||||
| Methionine aminopeptidase 2 | Enzyme | IC50 | 7.26 | CHEMBL | |||||
| Bromodomain-containing protein 4 | Unclassified | IC50 | 6.01 | CHEMBL | |||||
| Cystathionine gamma-lyase | Enzyme | IC50 | 5.22 | CHEMBL | |||||
| Catechol O-methyltransferase | Enzyme | IC50 | 4.70 | CHEMBL |
| ID | Source |
|---|---|
| D07245 | KEGG_DRUG |
| C0068881 | UMLSCUI |
| HNQ | PDB_CHEM_ID |
| CHEMBL1454910 | ChEMBL_ID |
| DB01422 | DRUGBANK_ID |
| 19910 | PUBCHEM_CID |
| 1833 | INN_ID |
| C005308 | MESH_SUPPLEMENTAL_RECORD_UI |
| A8M33244M6 | UNII |
| 31901 | RXNORM |
| 005384 | NDDF |
| 703481003 | SNOMEDCT_US |
| 703482005 | SNOMEDCT_US |
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