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