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| Stem definition | Drug id | CAS RN |
|---|---|---|
| sympathomimetic, phenethyl derivatives | 155 | 37571-84-9 |
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| Property | Description | Value | Unit | Confidence | Similarity |
|---|---|---|---|---|---|
| kinase-safety-class | ACVR2A,ACVR2B,AXL,BRAF,CAMK2D,CDK5,CDK9,EGFR,EIF2AK3,ERBB2,GRK2,ITK,MAPK7,NTRK2,PDK2,PDK4,PRKDC,SIK2,TEK,TGFBR1,ZAP70 | 21 | |||
| kinase-selectivity-class | AAK1,AXL,GRK2,MAP2K6,PDK4,PRKACA,PRKG1,TEK | 8 | |||
| pfas-class | PFAS structural alert (1 = True, 0 = False) | 0 |
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| Source | Code | Description |
|---|---|---|
| MeSH PA | D000316 | Adrenergic alpha-Agonists |
| MeSH PA | D000322 | Adrenergic Agonists |
| MeSH PA | D018377 | Neurotransmitter Agents |
| MeSH PA | D018663 | Adrenergic Agents |
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| Dissociation level | Dissociation constant | Type (acidic/basic) |
|---|---|---|
| pKa1 | 8.57 | acidic |
| pKa2 | 9.11 | Basic |
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| Target | Class | Pharos | UniProt | Action | Type | Activity value (-log[M]) | Mechanism action | Bioact source | MoA source |
|---|---|---|---|---|---|---|---|---|---|
| Adrenergic receptor alpha-2 | GPCR | IC50 | 4.72 | CHEMBL | |||||
| Adrenergic receptor alpha-1 | GPCR | IC50 | 4.40 | CHEMBL |
| ID | Source |
|---|---|
| D02901 | KEGG_DRUG |
| C0051584 | UMLSCUI |
| CHEBI:748585 | CHEBI |
| CHEMBL146408 | ChEMBL_ID |
| DB16623 | DRUGBANK_ID |
| C016980 | MESH_SUPPLEMENTAL_RECORD_UI |
| 1421-68-7 | SECONDARY_CAS_RN |
| 15010 | PUBCHEM_CID |
| 514 | IUPHAR_LIGAND_ID |
| 1751 | INN_ID |
| C001998 | MESH_SUPPLEMENTAL_RECORD_UI |
| 7E2P22546V | UNII |
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