| Stem definition | Drug id | CAS RN |
|---|---|---|
| 4055 | 21967-41-9 |
None
None
None
None
None
None
None
| Source | Code | Description |
|---|---|---|
| CHEBI has role | CHEBI:22586 | antioxidants |
| CHEBI has role | CHEBI:33282 | bactericides |
| CHEBI has role | CHEBI:35475 | non-steroidal anti-inflammatory agent |
| CHEBI has role | CHEBI:35610 | antineoplastic agents |
| CHEBI has role | CHEBI:50266 | Prodrugs |
| CHEBI has role | CHEBI:63726 | neuroprotective agents |
| CHEBI has role | CHEBI:76779 | post-proline endopeptidase inhibitors |
| CHEBI has role | CHEBI:76924 | plant metabolites |
| CHEBI has role | CHEBI:77307 | cardioprotective agents |
| CHEBI has role | CHEBI:145947 | antiatherosclerotic agents |
| CHEBI has role | CHEBI:149553 | anticoronaviral drug |
| CHEBI has role | CHEBI:170010 | EC 2.7.7.48 (RNA-directed RNA polymerase) inhibitors |
| CHEBI has role | CHEBI:173084 | ferroptosis inhibitors |
| MeSH PA | D000700 | Analgesics |
| MeSH PA | D018712 | Analgesics, Non-Narcotic |
| MeSH PA | D018927 | Anti-Asthmatic Agents |
| MeSH PA | D000890 | Anti-Infective Agents |
| MeSH PA | D000893 | Anti-Inflammatory Agents |
| MeSH PA | D000894 | Anti-Inflammatory Agents, Non-Steroidal |
| MeSH PA | D018501 | Antirheumatic Agents |
| MeSH PA | D004791 | Enzyme Inhibitors |
| MeSH PA | D018373 | Peripheral Nervous System Agents |
| MeSH PA | D019141 | Respiratory System Agents |
| MeSH PA | D018689 | Sensory System Agents |
None
None
None
| Dissociation level | Dissociation constant | Type (acidic/basic) |
|---|---|---|
| pKa1 | 2.86 | acidic |
| pKa2 | 6.55 | acidic |
| pKa3 | 9.09 | acidic |
| pKa4 | 11.71 | acidic |
| pKa5 | 12.49 | acidic |
None
None
| Target | Class | Pharos | UniProt | Action | Type | Activity value (-log[M]) | Mechanism action | Bioact source | MoA source |
|---|---|---|---|---|---|---|---|---|---|
| Cyclin-dependent kinase 1 | Kinase | IC50 | 4.84 | CHEMBL | |||||
| Serine/threonine-protein kinase PLK1 | Kinase | IC50 | 5.44 | CHEMBL | |||||
| Prolyl endopeptidase | Enzyme | IC50 | 4.92 | CHEMBL | |||||
| Lysine-specific histone demethylase 1A | Enzyme | IC50 | 5.45 | CHEMBL | |||||
| GABA-A receptor; anion channel | Ion channel | Ki | 4.11 | CHEMBL | |||||
| Replicase polyprotein 1ab | Enzyme | IC50 | 5.19 | CHEMBL |
| ID | Source |
|---|---|
| 4028922 | VUID |
| N0000179808 | NUI |
| 4028922 | VANDF |
| C0052929 | UMLSCUI |
| CHEBI:2981 | CHEBI |
| 0XE | PDB_CHEM_ID |
| CHEMBL485818 | ChEMBL_ID |
| C038044 | MESH_SUPPLEMENTAL_RECORD_UI |
| C088236 | MESH_SUPPLEMENTAL_RECORD_UI |
| 347Q89U4M5 | UNII |
| 64982 | PUBCHEM_CID |
| 1440261 | RXNORM |
| 008594 | NDDF |
| Product | Category | Ingredients | NDC | Form | Quantity | Route | Marketing | Label |
|---|---|---|---|---|---|---|---|---|
| Anubis Barcelona | HUMAN OTC DRUG LABEL | 24 | 83021-553 | CREAM | 0.01 g | TOPICAL | OTC monograph final | 9 sections |