| Stem definition | Drug id | CAS RN |
|---|---|---|
| N-methylated xanthine derivatives | 2296 | 55242-55-2 |
| Molecule | Description |
|---|---|
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| Source | Code | Description |
|---|---|---|
| ATC | N06BC02 | NERVOUS SYSTEM PSYCHOANALEPTICS PSYCHOSTIMULANTS, AGENTS USED FOR ADHD AND NOOTROPICS Xanthine derivatives |
| MeSH PA | D002491 | Central Nervous System Agents |
| MeSH PA | D018696 | Neuroprotective Agents |
| MeSH PA | D020011 | Protective Agents |
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| Dissociation level | Dissociation constant | Type (acidic/basic) |
|---|---|---|
| pKa1 | 1.63 | Basic |
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| Target | Class | Pharos | UniProt | Action | Type | Activity value (-log[M]) | Mechanism action | Bioact source | MoA source |
|---|---|---|---|---|---|---|---|---|---|
| Acetylcholinesterase | Enzyme | IC50 | 5.19 | CHEMBL |
| ID | Source |
|---|---|
| D01630 | KEGG_DRUG |
| C0072171 | UMLSCUI |
| CHEBI:32061 | CHEBI |
| POY | PDB_CHEM_ID |
| CHEMBL1079905 | ChEMBL_ID |
| DB06479 | DRUGBANK_ID |
| C032114 | MESH_SUPPLEMENTAL_RECORD_UI |
| 4938 | PUBCHEM_CID |
| 5005 | INN_ID |
| 5RTA398U4H | UNII |
| 34644 | RXNORM |
| 008166 | NDDF |
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