| Stem definition | Drug id | CAS RN |
|---|---|---|
| aromatic ring -CH(-OH)-CH2-NH-R | 1658 | 56290-94-9 |
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| Property | Value | Reference |
|---|---|---|
| BA (Bioavailability) | 38 % | Kim MT, Sedykh A, Chakravarti SK, Saiakhov RD, Zhu H |
| Vd (Volume of distribution) | 7.90 L/kg | Lombardo F, Berellini G, Obach RS |
| CL (Clearance) | 16 mL/min/kg | Lombardo F, Berellini G, Obach RS |
| t_half (Half-life) | 11 hours | Lombardo F, Berellini G, Obach RS |
None
None
None
None
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| Source | Code | Description |
|---|---|---|
| MeSH PA | D018663 | Adrenergic Agents |
| MeSH PA | D000317 | Adrenergic alpha-Antagonists |
| MeSH PA | D018674 | Adrenergic Antagonists |
| MeSH PA | D000319 | Adrenergic beta-Antagonists |
| MeSH PA | D000959 | Antihypertensive Agents |
| MeSH PA | D002317 | Cardiovascular Agents |
| MeSH PA | D018377 | Neurotransmitter Agents |
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| Dissociation level | Dissociation constant | Type (acidic/basic) |
|---|---|---|
| pKa1 | 8.81 | acidic |
| pKa2 | 12.65 | acidic |
| pKa3 | 8.23 | 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 | pA2 | 7.82 | WOMBAT-PK | |||||
| Alpha-1A adrenergic receptor | GPCR | pA2 | 6.08 | WOMBAT-PK |
| ID | Source |
|---|---|
| D04888 | KEGG_DRUG |
| C0065863 | UMLSCUI |
| CHEBI:135571 | CHEBI |
| CHEMBL1203104 | ChEMBL_ID |
| CHEMBL113278 | ChEMBL_ID |
| C024892 | MESH_SUPPLEMENTAL_RECORD_UI |
| 41835 | PUBCHEM_CID |
| 4784 | INN_ID |
| 70161-10-3 | SECONDARY_CAS_RN |
| 7PX96289JA | UNII |
None