| Stem definition | Drug id | CAS RN |
|---|---|---|
| beta-adrenoreceptor antagonists | 360 | 59170-23-9 |
| Dose | Unit | Route |
|---|---|---|
| 0.30 | g | O |
| Property | Value | Reference |
|---|---|---|
| BDDCS (Biopharmaceutical Drug Disposition Classification System) | 2 | Benet LZ, Broccatelli F, Oprea TI |
| S (Water solubility) | 0.18 mg/mL | Benet LZ, Broccatelli F, Oprea TI |
| EoM (Fraction excreted unchanged in urine) | 8 % | Benet LZ, Broccatelli F, Oprea TI |
| BA (Bioavailability) | 57 % | Kim MT, Sedykh A, Chakravarti SK, Saiakhov RD, Zhu H |
| Vd (Volume of distribution) | 0.67 L/kg | Lombardo F, Berellini G, Obach RS |
| CL (Clearance) | 5.50 mL/min/kg | Lombardo F, Berellini G, Obach RS |
| fu (Fraction unbound in plasma) | 0.02 % | Lombardo F, Berellini G, Obach RS |
| t_half (Half-life) | 1.90 hours | Lombardo F, Berellini G, Obach RS |
| Date | Agency | Company | Orphan |
|---|---|---|---|
| Jan. 1, 1987 | YEAR INTRODUCED |
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| Source | Code | Description |
|---|---|---|
| ATC | C07AB06 | CARDIOVASCULAR SYSTEM BETA BLOCKING AGENTS BETA BLOCKING AGENTS Beta blocking agents, selective |
| ATC | C07BB06 | CARDIOVASCULAR SYSTEM BETA BLOCKING AGENTS BETA BLOCKING AGENTS AND THIAZIDES Beta blocking agents, selective, and thiazides |
| MeSH PA | D018663 | Adrenergic Agents |
| MeSH PA | D018674 | Adrenergic Antagonists |
| MeSH PA | D058671 | Adrenergic beta-1 Receptor Antagonists |
| MeSH PA | D000319 | Adrenergic beta-Antagonists |
| MeSH PA | D018377 | Neurotransmitter Agents |
| CHEBI has role | CHEBI:35530 | beta-adrenergic blockers |
| CHEBI has role | CHEBI:35674 | antihypertensive drugs |
| CHEBI has role | CHEBI:38070 | antiarrhythmic agent |
| CHEBI has role | CHEBI:38215 | calcium channel blockers |
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| Dissociation level | Dissociation constant | Type (acidic/basic) |
|---|---|---|
| pKa1 | 8.28 | 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 | ANTAGONIST | WOMBAT-PK | SCIENTIFIC LITERATURE |
| ID | Source |
|---|---|
| D01369 | KEGG_DRUG |
| C0053532 | UMLSCUI |
| CHEBI:238698 | CHEBI |
| CHEMBL314010 | ChEMBL_ID |
| CHEMBL2106060 | ChEMBL_ID |
| DB01295 | DRUGBANK_ID |
| C021148 | MESH_SUPPLEMENTAL_RECORD_UI |
| 2372 | PUBCHEM_CID |
| 4115 | INN_ID |
| 42864-78-8 | SECONDARY_CAS_RN |
| 34ZXW6ZV21 | UNII |
| 008146 | NDDF |
| 008147 | NDDF |
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