| Stem definition | Drug id | CAS RN |
|---|---|---|
| aromatic ring -CH(-OH)-CH2-NH-R | 424 | 54340-62-4 |
| Molecule | Description |
|---|---|
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Synonyms:
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| Property | Value | Reference |
|---|---|---|
| BA (Bioavailability) | 46 % | Kim MT, Sedykh A, Chakravarti SK, Saiakhov RD, Zhu H |
| Vd (Volume of distribution) | 1.70 L/kg | Lombardo F, Berellini G, Obach RS |
| CL (Clearance) | 8.90 mL/min/kg | Lombardo F, Berellini G, Obach RS |
| fu (Fraction unbound in plasma) | 0.19 % | Lombardo F, Berellini G, Obach RS |
| t_half (Half-life) | 2.30 hours | Lombardo F, Berellini G, Obach RS |
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| Source | Code | Description |
|---|---|---|
| MeSH PA | D018663 | Adrenergic Agents |
| MeSH PA | D018674 | Adrenergic Antagonists |
| MeSH PA | D000319 | Adrenergic beta-Antagonists |
| MeSH PA | D018377 | Neurotransmitter Agents |
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| Dissociation level | Dissociation constant | Type (acidic/basic) |
|---|---|---|
| pKa1 | 8.89 | Basic |
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| Target | Class | Pharos | UniProt | Action | Type | Activity value (-log[M]) | Mechanism action | Bioact source | MoA source |
|---|---|---|---|---|---|---|---|---|---|
| Beta-1 adrenergic receptor | GPCR | Ki | 8.20 | WOMBAT-PK | |||||
| Beta-2 adrenergic receptor | GPCR | Ki | 8.80 | WOMBAT-PK | |||||
| Multidrug resistance protein 1 | Transporter | WOMBAT-PK | |||||||
| Cytochrome P450 2D6 | Enzyme | Ks | 4.59 | WOMBAT-PK |
| ID | Source |
|---|---|
| C0054212 | UMLSCUI |
| CHEBI:34593 | CHEBI |
| CHEMBL296035 | ChEMBL_ID |
| CHEMBL251642 | ChEMBL_ID |
| CHEMBL399261 | ChEMBL_ID |
| DB06726 | DRUGBANK_ID |
| C010831 | MESH_SUPPLEMENTAL_RECORD_UI |
| 71733 | PUBCHEM_CID |
| 9834 | IUPHAR_LIGAND_ID |
| 3539 | INN_ID |
| 891H89GFT4 | UNII |
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