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| Stem definition | Drug id | CAS RN |
|---|---|---|
| beta-adrenoreceptor antagonists | 487 | 57775-29-8 |
| Molecule | Description |
|---|---|
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Synonyms:
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None
| Property | Value | Reference |
|---|---|---|
| BA (Bioavailability) | 8 % |
| Property | Description | Value | Unit | Confidence | Similarity |
|---|---|---|---|---|---|
| kinase-safety-class | ACVR2A,ACVR2B,AKT2,AKT3,ALK,AURKA,AXL,BRAF,BTK,CAMK2B,CAMK2D,CDK4,CDK5,CDK9,CHEK1,DDR1,DYRK1B,EIF2AK3,EPHB4,ERBB2,FLT3,GRK2,ITK,JAK2,JAK3,MAP2K6,MAP3K21,MAP3K7,MAPK10,MAPK12,MAPK7,MAPK9,MAPKAPK2,MET,MTOR,NTRK2,PAK4,PDK2,PDK4,PDPK1,PIK3CB,PIM2,PLK1,PRKCD,PRKDC,SIK2,SIK3,STK33,SYK,TEK,TGFBR1,TTK,ULK1 | 53 | |||
| kinase-selectivity-class | AXL,BRAF,CAMK2D,CDK4,DYRK1B,MAP2K6,STK33,TTK | 8 | |||
| mdck-mdr1-bcrp-efflux | MDCK-MDR1-BCRP efflux ratio | 2.213 | Moderate | 0.70 | |
| pfas-class | PFAS structural alert (1 = True, 0 = False) | 0 | |||
| pld-class | Phospholipidosis risk class (1 = positive, 0 = negative) | 1 | Moderate | 0.70 | |
| rat-kpuu-brain | Rat brain Kpuu | 0.115 | % | Moderate | 0.70 |
None
None
None
None
None
| Source | Code | Description |
|---|---|---|
| MeSH PA | D000319 | Adrenergic beta-Antagonists |
| MeSH PA | D018377 | Neurotransmitter Agents |
| MeSH PA | D018663 | Adrenergic Agents |
| MeSH PA | D018674 | Adrenergic Antagonists |
None
None
None
| Dissociation level | Dissociation constant | Type (acidic/basic) |
|---|---|---|
| pKa1 | 12.13 | 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 | ANTAGONIST | Kd | 10.20 | IUPHAR | ||||
| Beta-2 adrenergic receptor | GPCR | Ki | 9.94 | CHEMBL | |||||
| Beta-3 adrenergic receptor | GPCR | AGONIST | Ki | 8.70 | IUPHAR | ||||
| Dynamin-1 | Structural | IC50 | 4.10 | CHEMBL | |||||
| Beta-3 adrenergic receptor | GPCR | AGONIST | Ki | 7.70 | IUPHAR | ||||
| Beta-3 adrenergic receptor | GPCR | AGONIST | Ki | 7.70 | IUPHAR | ||||
| Beta-1 adrenergic receptor | GPCR | Ki | 10.05 | CHEMBL |
| ID | Source |
|---|---|
| D07608 | KEGG_DRUG |
| 20192 | RXNORM |
| C0054636 | UMLSCUI |
| CHEBI:135261 | CHEBI |
| CHEMBL324665 | ChEMBL_ID |
| C014382 | MESH_SUPPLEMENTAL_RECORD_UI |
| 71739 | PUBCHEM_CID |
| 569 | IUPHAR_LIGAND_ID |
| 4036 | INN_ID |
| 29PW75S82A | UNII |
| 006896 | NDDF |
| 29PW75S82A | INXIGHT DRUGS |
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