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| Stem definition | Drug id | CAS RN |
|---|---|---|
| beta-adrenoreceptor antagonists | 4702 | 93379-54-5 |
| Molecule | Description |
|---|---|
|
Synonyms:
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| Dose | Unit | Route |
|---|---|---|
| 50 | mg | O |
None
| Property | Description | Value | Unit | Confidence | Similarity |
|---|---|---|---|---|---|
| kinase-safety-class | ACVR2A,ACVR2B,AXL,BRAF,BTK,CAMK2D,CDK4,CDK5,CDK9,DDR1,DYRK1B,EIF2AK3,EPHB4,ERBB2,GRK2,ITK,MAP2K6,MAP3K21,MAP3K7,MAPK7,NTRK2,PDK2,PDK4,PRKDC,SIK2,STK33,TEK,TGFBR1 | 28 | |||
| kinase-selectivity-class | CDK4,EIF2AK3 | 2 | |||
| mdck-mdr1-bcrp-efflux | MDCK-MDR1-BCRP efflux ratio | 0.869 | High | 1 | |
| pfas-class | PFAS structural alert (1 = True, 0 = False) | 0 | |||
| pld-class | Phospholipidosis risk class (1 = positive, 0 = negative) | 0 | High | 1 | |
| rat-kpuu-brain | Rat brain Kpuu | 0.007 | % | High | 1 |
None
None
None
None
None
| Source | Code | Description |
|---|---|---|
| ATC | C07AB11 | CARDIOVASCULAR SYSTEM BETA BLOCKING AGENTS BETA BLOCKING AGENTS Beta blocking agents, selective |
| CHEBI has role | CHEBI:35530 | β-adrenergic antagonist |
| CHEBI has role | CHEBI:35554 | cardiovascular drug |
None
None
None
| Dissociation level | Dissociation constant | Type (acidic/basic) |
|---|---|---|
| pKa1 | 12.92 | acidic |
| pKa2 | 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 | Ki | 6.82 | CHEMBL | |||||
| Beta-2 adrenergic receptor | GPCR | Ki | 5 | CHEMBL | |||||
| Adenosine receptor A3 | GPCR | IC50 | 8.75 | CHEMBL | |||||
| 5-hydroxytryptamine receptor 1A | GPCR | Ki | 5 | CHEMBL | |||||
| Beta-2 adrenergic receptor | GPCR | Kd | 5.93 | CHEMBL | |||||
| Beta-1 adrenergic receptor | GPCR | Kd | 7.62 | CHEMBL | |||||
| Urease | Enzyme | IC50 | 4.19 | CHEMBL |
| ID | Source |
|---|---|
| D01471 | KEGG_DRUG |
| CHEBI:31556 | CHEBI |
| CHEMBL343633 | ChEMBL_ID |
| 7337 | INN_ID |
| DB13443 | DRUGBANK_ID |
| DPF757BOSR | UNII |
| C3652674 | UMLSCUI |
| 175540 | PUBCHEM_CID |
| DPF757BOSR | INXIGHT DRUGS |
None