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| Stem definition | Drug id | CAS RN |
|---|---|---|
| 2558 | 101626-70-4 |
None
None
| Property | Description | Value | Unit | Confidence | Similarity |
|---|---|---|---|---|---|
| kinase-safety-class | ACVR2A,ACVR2B,AURKA,AXL,BRAF,CAMK2B,CAMK2D,CDK5,CDK9,DDR1,DYRK1B,EIF2AK3,ERBB2,GRK2,ITK,MAP3K21,MAPK10,MAPK7,NTRK2,PDK1,PDK2,PDK4,PIK3CA,PIM2,PRKDC,SIK2,STK33,TEK,TTK | 29 | |||
| pfas-class | PFAS structural alert (1 = True, 0 = False) | 0 |
| Date | Agency | Company | Orphan |
|---|---|---|---|
| None | PMDA |
None
None
None
None
| Source | Code | Description |
|---|---|---|
| MeSH PA | D000316 | Adrenergic alpha-Agonists |
| MeSH PA | D000322 | Adrenergic Agonists |
| MeSH PA | D000928 | Antidepressive Agents |
| MeSH PA | D002491 | Central Nervous System Agents |
| MeSH PA | D011619 | Psychotropic Drugs |
| MeSH PA | D015259 | Dopamine Agents |
| MeSH PA | D018377 | Neurotransmitter Agents |
| MeSH PA | D018491 | Dopamine Agonists |
| MeSH PA | D018663 | Adrenergic Agents |
| Disease | Relation | SNOMED_ID | DOID |
|---|---|---|---|
| Parkinson's disease | indication | 49049000 | DOID:14330 |
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None
| Dissociation level | Dissociation constant | Type (acidic/basic) |
|---|---|---|
| pKa1 | 8.59 | Basic |
| pKa2 | 4.73 | Basic |
None
None
| Target | Class | Pharos | UniProt | Action | Type | Activity value (-log[M]) | Mechanism action | Bioact source | MoA source |
|---|---|---|---|---|---|---|---|---|---|
| D(2) dopamine receptor | GPCR | Ki | 6.31 | PDSP | |||||
| Alpha-2A adrenergic receptor | GPCR | Ki | 6.92 | PDSP | |||||
| 5-hydroxytryptamine receptor 1A | GPCR | Ki | 5.77 | PDSP | |||||
| Alpha-2B adrenergic receptor | GPCR | Ki | 6.69 | PDSP | |||||
| D(3) dopamine receptor | GPCR | Ki | 7.48 | PDSP | |||||
| D(1B) dopamine receptor | GPCR | Ki | 5.46 | PDSP | |||||
| Alpha-2C adrenergic receptor | GPCR | Ki | 6.70 | PDSP | |||||
| D(4) dopamine receptor | GPCR | Ki | 6.48 | PDSP | |||||
| Alpha-1D adrenergic receptor | GPCR | Ki | 5.90 | PDSP | |||||
| Alpha-1B adrenergic receptor | GPCR | Ki | 5.41 | PDSP | |||||
| D(2) dopamine receptor | GPCR | Ki | 8.24 | CHEMBL | |||||
| Adrenergic receptor alpha-2 | GPCR | IC50 | 7.60 | CHEMBL |
| ID | Source |
|---|---|
| D08558 | KEGG_DRUG |
| C0075784 | UMLSCUI |
| CHEBI:93327 | CHEBI |
| CHEMBL279085 | ChEMBL_ID |
| CHEMBL1504869 | ChEMBL_ID |
| 5374 | PUBCHEM_CID |
| C024763 | MESH_SUPPLEMENTAL_RECORD_UI |
| 5442 | IUPHAR_LIGAND_ID |
| 5973 | INN_ID |
| 7AM2J46Z1Y | UNII |
| 7AM2J46Z1Y | INXIGHT DRUGS |
None