| Stem definition | Drug id | CAS RN |
|---|---|---|
| aromatic ring -CH(-OH)-CH2-NH-R | 894 | 75659-07-3 |
| Molecule | Description |
|---|---|
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Synonyms:
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None
| Property | Value | Reference |
|---|---|---|
| BDDCS (Biopharmaceutical Drug Disposition Classification System) | 1 | Benet LZ, Broccatelli F, Oprea TI |
| S (Water solubility) | 16 mg/mL | Benet LZ, Broccatelli F, Oprea TI |
| EoM (Fraction excreted unchanged in urine) | 2.50 % | Benet LZ, Broccatelli F, Oprea TI |
| MRTD (Maximum Recommended Therapeutic Daily Dose) | 121.80 ยตM/kg/day | Contrera JF, Matthews EJ, Kruhlak NL, Benz RD |
| BA (Bioavailability) | 12 % | Kim MT, Sedykh A, Chakravarti SK, Saiakhov RD, Zhu H |
| Vd (Volume of distribution) | 4.80 L/kg | Lombardo F, Berellini G, Obach RS |
| CL (Clearance) | 29 mL/min/kg | Lombardo F, Berellini G, Obach RS |
| t_half (Half-life) | 3.30 hours | Lombardo F, Berellini G, Obach RS |
| Date | Agency | Company | Orphan |
|---|---|---|---|
| Jan. 1, 1989 | YEAR INTRODUCED |
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| Source | Code | Description |
|---|---|---|
| MeSH PA | D018663 | Adrenergic Agents |
| MeSH PA | D058668 | Adrenergic alpha-1 Receptor Antagonists |
| 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 |
| MeSH PA | D018373 | Peripheral Nervous System Agents |
| MeSH PA | D013566 | Sympathomimetics |
None
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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 | WOMBAT-PK | |||||||
| Beta-2 adrenergic receptor | GPCR | WOMBAT-PK | |||||||
| Alpha-1A adrenergic receptor | GPCR | WOMBAT-PK | |||||||
| Alpha-1B adrenergic receptor | GPCR | WOMBAT-PK | |||||||
| 5-hydroxytryptamine receptor 1A | GPCR | Ki | 6.53 | CHEMBL |
| ID | Source |
|---|---|
| C0012368 | UMLSCUI |
| CHEBI:94471 | CHEBI |
| CHEMBL27193 | ChEMBL_ID |
| D007741 | MESH_DESCRIPTOR_UI |
| 134044 | PUBCHEM_CID |
| 5180 | INN_ID |
| P6629XE33T | UNII |
| 008145 | NDDF |
None