| Stem definition | Drug id | CAS RN |
|---|---|---|
| beta-adrenoreceptor antagonists | 389 | 62658-63-3 |
| Molecule | Description |
|---|---|
|
Synonyms:
|
|
None
| Property | Value | Reference |
|---|---|---|
| BDDCS (Biopharmaceutical Drug Disposition Classification System) | 1 | Benet LZ, Broccatelli F, Oprea TI |
| S (Water solubility) | 3.30 mg/mL | Benet LZ, Broccatelli F, Oprea TI |
| EoM (Fraction excreted unchanged in urine) | 0 % | Benet LZ, Broccatelli F, Oprea TI |
| MRTD (Maximum Recommended Therapeutic Daily Dose) | 0.05 ยตM/kg/day | Contrera JF, Matthews EJ, Kruhlak NL, Benz RD |
| Date | Agency | Company | Orphan |
|---|---|---|---|
| Jan. 1, 1985 | YEAR INTRODUCED |
None
None
None
None
| Source | Code | Description |
|---|---|---|
| ATC | C07AA17 | CARDIOVASCULAR SYSTEM BETA BLOCKING AGENTS BETA BLOCKING AGENTS Beta blocking agents, non-selective |
| ATC | C07CA17 | CARDIOVASCULAR SYSTEM BETA BLOCKING AGENTS BETA BLOCKING AGENTS AND OTHER DIURETICS Beta blocking agents, non-selective, and other diuretics |
| MeSH PA | D018663 | Adrenergic Agents |
| MeSH PA | D018674 | Adrenergic 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 |
None
None
None
| Dissociation level | Dissociation constant | Type (acidic/basic) |
|---|---|---|
| pKa1 | 13.62 | acidic |
| pKa2 | 9.12 | 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 | 9.51 | WOMBAT-PK | SCIENTIFIC LITERATURE | |||
| Beta-2 adrenergic receptor | GPCR | ANTAGONIST | Ki | 9.65 | WOMBAT-PK | SCIENTIFIC LITERATURE | |||
| 5-hydroxytryptamine receptor 2B | GPCR | Ki | 6.01 | DRUG MATRIX | |||||
| Beta-3 adrenergic receptor | GPCR | Ki | 6.46 | DRUG MATRIX | |||||
| 5-hydroxytryptamine receptor 1A | GPCR | Ki | 6.82 | DRUG MATRIX | |||||
| Cytochrome P450 2D6 | Enzyme | IC50 | 5.26 | DRUG MATRIX | |||||
| 5-hydroxytryptamine receptor 2A | GPCR | Ki | 6.35 | DRUG MATRIX | |||||
| 5-hydroxytryptamine receptor 1A | GPCR | IC50 | 6.57 | CHEMBL |
| ID | Source |
|---|---|
| D01794 | KEGG_DRUG |
| 19605 | RXNORM |
| C0053941 | UMLSCUI |
| CHEBI:76749 | CHEBI |
| CHEMBL357995 | ChEMBL_ID |
| DB08807 | DRUGBANK_ID |
| C036007 | MESH_SUPPLEMENTAL_RECORD_UI |
| 44112 | PUBCHEM_CID |
| C038186 | MESH_SUPPLEMENTAL_RECORD_UI |
| 4695 | INN_ID |
| 82857-38-3 | SECONDARY_CAS_RN |
| KT304VZO57 | UNII |
| C0090785 | UMLSCUI |
| 007137 | NDDF |
None