| Stem definition | Drug id | CAS RN |
|---|---|---|
| beta-adrenoreceptor antagonists | 3486 | 6673-35-4 |
| Dose | Unit | Route |
|---|---|---|
| 0.30 | g | O |
| 20 | mg | P |
| Property | Value | Reference |
|---|---|---|
| BDDCS (Biopharmaceutical Drug Disposition Classification System) | 4 | Bocci G, Oprea TI, Benet LZ |
| BA (Bioavailability) | 99 % | Kim MT, Sedykh A, Chakravarti SK, Saiakhov RD, Zhu H |
| CL (Clearance) | 2.28 mL/min/kg | Lombardo F, Berellini G, Obach RS |
| fu (Fraction unbound in plasma) | 0.93 % | Lombardo F, Berellini G, Obach RS |
| t_half (Half-life) | 12.20 hours | Lombardo F, Berellini G, Obach RS |
| S (Water solubility) | 0.49 mg/mL | Bocci G, Oprea TI, Benet LZ |
None
None
None
None
None
| Source | Code | Description |
|---|---|---|
| ATC | C07AB01 | CARDIOVASCULAR SYSTEM BETA BLOCKING AGENTS BETA BLOCKING AGENTS Beta blocking agents, selective |
| 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 | D000889 | Anti-Arrhythmia Agents |
| MeSH PA | D002317 | Cardiovascular Agents |
| MeSH PA | D018377 | Neurotransmitter Agents |
| CHEBI has role | CHEBI:35530 | beta-adrenergic blockers |
| CHEBI has role | CHEBI:38070 | antiarrhythmic agent |
None
None
None
| Dissociation level | Dissociation constant | Type (acidic/basic) |
|---|---|---|
| pKa1 | 9.19 | Basic |
None
None
| Target | Class | Pharos | UniProt | Action | Type | Activity value (-log[M]) | Mechanism action | Bioact source | MoA source |
|---|---|---|---|---|---|---|---|---|---|
| Beta-1 adrenergic receptor | GPCR | ANTAGONIST | Ki | 6.80 | IUPHAR | IUPHAR | |||
| Beta-2 adrenergic receptor | GPCR | Kd | 5.80 | CHEMBL | |||||
| Beta-2 adrenergic receptor | GPCR | Kd | 4.69 | CHEMBL | |||||
| Beta-1 adrenergic receptor | GPCR | Kd | 6.47 | CHEMBL | |||||
| Beta-1 adrenergic receptor | GPCR | Kd | 6.98 | CHEMBL | |||||
| Beta-2 adrenergic receptor | GPCR | Ki | 4.87 | CHEMBL |
| ID | Source |
|---|---|
| N0000166900 | NUI |
| D05587 | KEGG_DRUG |
| C0032896 | UMLSCUI |
| CHEBI:258351 | CHEBI |
| CHEMBL6995 | ChEMBL_ID |
| DB01297 | DRUGBANK_ID |
| D011217 | MESH_DESCRIPTOR_UI |
| 4883 | PUBCHEM_CID |
| 555 | IUPHAR_LIGAND_ID |
| 2832 | INN_ID |
| SUG9176GRW | UNII |
| 386156 | RXNORM |
| 003757 | NDDF |
| 387436006 | SNOMEDCT_US |
| 76390000 | SNOMEDCT_US |
None