| Stem definition | Drug id | CAS RN |
|---|---|---|
| bronchodilators, phenethylamine derivatives | 2388 | 51-31-0 |
| Molecule | Description |
|---|---|
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Synonyms:
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| Source | Code | Description |
|---|---|---|
| CHEBI has role | CHEBI:35522 | beta-adrenergic agonists |
| CHEBI has role | CHEBI:35524 | sympathomimetic |
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| Dissociation level | Dissociation constant | Type (acidic/basic) |
|---|---|---|
| pKa1 | 9.97 | acidic |
| pKa2 | 12.82 | acidic |
| pKa3 | 13.92 | acidic |
| pKa4 | 8.94 | Basic |
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| Target | Class | Pharos | UniProt | Action | Type | Activity value (-log[M]) | Mechanism action | Bioact source | MoA source |
|---|---|---|---|---|---|---|---|---|---|
| Beta-1 adrenergic receptor | GPCR | EC50 | 8.10 | CHEMBL | |||||
| Beta-2 adrenergic receptor | GPCR | IC50 | 10.30 | CHEMBL | |||||
| Beta-3 adrenergic receptor | GPCR | EC50 | 7.40 | CHEMBL | |||||
| Beta-2 adrenergic receptor | GPCR | Ki | 6.87 | CHEMBL | |||||
| Beta-1 adrenergic receptor | GPCR | Ki | 6.66 | CHEMBL |
| ID | Source |
|---|---|
| C2697916 | UMLSCUI |
| CHEBI:6257 | CHEBI |
| 5FW | PDB_CHEM_ID |
| CHEMBL1160723 | ChEMBL_ID |
| CHEMBL460574 | ChEMBL_ID |
| 864 | INN_ID |
| 588N0603CT | UNII |
| 443372 | PUBCHEM_CID |
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