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| Stem definition | Drug id | CAS RN |
|---|---|---|
| 1780 | 4969-02-2 |
| Dose | Unit | Route |
|---|---|---|
| 40 | mg | O |
None
| Property | Description | Value | Unit | Confidence | Similarity |
|---|---|---|---|---|---|
| kinase-safety-class | ACVR2B,AKT2,AXL,BRAF,BTK,CAMK2B,CAMK2D,CDK5,EIF2AK3,EPHB4,ERBB2,GRK2,ITK,MAP3K7,MAPK10,MAPK7,MET,NTRK2,PDK2,PDK4,PDPK1,PIM2,PRKDC,TEK,TGFBR1 | 25 | |||
| kinase-selectivity-class | AXL,PDK4 | 2 | |||
| pfas-class | PFAS structural alert (1 = True, 0 = False) | 0 |
| Date | Agency | Company | Orphan |
|---|---|---|---|
| None | FDA | NOVARTIS |
None
None
None
None
| Source | Code | Description |
|---|---|---|
| ATC | N04AA03 | NERVOUS SYSTEM ANTI-PARKINSON DRUGS ANTICHOLINERGIC AGENTS Tertiary amines |
| CHEBI has role | CHEBI:37956 | histamine antagonist |
| CHEBI has role | CHEBI:48407 | antiparkinson drug |
| CHEBI has role | CHEBI:48876 | muscarinic antagonist |
| Disease | Relation | SNOMED_ID | DOID |
|---|---|---|---|
| Parkinsonism | indication | 32798002 |
None
None
| Dissociation level | Dissociation constant | Type (acidic/basic) |
|---|---|---|
| pKa1 | 9.34 | Basic |
None
None
| Target | Class | Pharos | UniProt | Action | Type | Activity value (-log[M]) | Mechanism action | Bioact source | MoA source |
|---|---|---|---|---|---|---|---|---|---|
| 5-hydroxytryptamine receptor 2C | GPCR | ANTAGONIST | CHEMBL | CHEMBL | |||||
| Muscarinic acetylcholine receptor M1 | GPCR | ANTAGONIST | CHEMBL | CHEMBL | |||||
| Cholinesterase | Enzyme | IC50 | 5.80 | CHEMBL |
| ID | Source |
|---|---|
| D01871 | KEGG_DRUG |
| C0066139 | UMLSCUI |
| CHEBI:51024 | CHEBI |
| CHEMBL1201342 | ChEMBL_ID |
| CHEMBL1200426 | ChEMBL_ID |
| DB00340 | DRUGBANK_ID |
| 4167 | PUBCHEM_CID |
| C005111 | MESH_SUPPLEMENTAL_RECORD_UI |
| 7081-40-5 | SECONDARY_CAS_RN |
| 258230 | RXNORM |
| 001765 | NDDF |
| 004712 | NDDF |
| 323245002 | SNOMEDCT_US |
| 387354009 | SNOMEDCT_US |
| 64558005 | SNOMEDCT_US |
| 7232 | IUPHAR_LIGAND_ID |
| 1582 | INN_ID |
| 32VY6L26ZW | UNII |
None