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| Stem definition | Drug id | CAS RN |
|---|---|---|
| bronchodilators, phenethylamine derivatives | 714 | 3811-25-4 |
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| Property | Description | Value | Unit | Confidence | Similarity |
|---|---|---|---|---|---|
| kinase-selectivity-class | AXL,EIF2AK3,GRK2,PDK4 | 4 | |||
| kinase-safety-class | ACVR2A,ACVR2B,AXL,BRAF,BTK,CAMK2B,CAMK2D,CDK4,CDK5,CDK9,DDR1,DYRK1B,EIF2AK3,EPHB4,ERBB2,FLT3,GRK2,ITK,MAP2K6,MAP3K21,MAPK7,NTRK2,PDK2,PDK4,PIK3CB,PRKDC,SIK2,SIK3,SYK,TEK,TGFBR1 | 31 | |||
| pfas-class | PFAS structural alert (1 = True, 0 = False) | 0 |
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| MedDRA adverse event term | Likelihood ratio | Likelihood ratio threshold | Patients taking drug having adverse event | Patients taking drug not having adverse event | Patients not taking drug having adverse event | Patients not taking drug not having adverse event |
|---|---|---|---|---|---|---|
| Pneumonia aspiration | 171.37 | 116.66 | 36 | 234 | 40904 | 90587273 |
| Coma | 150.81 | 116.66 | 36 | 234 | 72596 | 90555581 |
| Underdose | 123.39 | 116.66 | 29 | 241 | 53988 | 90574189 |
| Gastrooesophageal reflux disease | 121.23 | 116.66 | 36 | 234 | 166301 | 90461876 |
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| MedDRA adverse event term | Likelihood ratio | Likelihood ratio threshold | Patients taking drug having adverse event | Patients taking drug not having adverse event | Patients not taking drug having adverse event | Patients not taking drug not having adverse event |
|---|---|---|---|---|---|---|
| Pneumonia aspiration | 153.94 | 113.12 | 36 | 234 | 81197 | 110507832 |
| Coma | 140.61 | 113.12 | 36 | 234 | 117833 | 110471196 |
| Gastrooesophageal reflux disease | 125.51 | 113.12 | 36 | 234 | 179940 | 110409089 |
| Underdose | 124.44 | 113.12 | 29 | 241 | 63525 | 110525504 |
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| Source | Code | Description |
|---|---|---|
| MeSH PA | D001993 | Bronchodilator Agents |
| MeSH PA | D013566 | Sympathomimetics |
| MeSH PA | D018373 | Peripheral Nervous System Agents |
| MeSH PA | D018927 | Anti-Asthmatic Agents |
| MeSH PA | D019141 | Respiratory System Agents |
| CHEBI has role | CHEBI:35522 | β-adrenergic agonist |
| CHEBI has role | CHEBI:35523 | bronchodilator agent |
| CHEBI has role | CHEBI:35524 | sympathomimetic agent |
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| Dissociation level | Dissociation constant | Type (acidic/basic) |
|---|---|---|
| pKa1 | 8.64 | 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 | Ki | 5.83 | DRUG MATRIX | |||||
| Beta-2 adrenergic receptor | GPCR | Ki | 5.86 | DRUG MATRIX |
| ID | Source |
|---|---|
| D01835 | KEGG_DRUG |
| C0055943 | UMLSCUI |
| CHEBI:134887 | CHEBI |
| CHEMBL1902627 | ChEMBL_ID |
| CHEMBL3989576 | ChEMBL_ID |
| 2810 | PUBCHEM_CID |
| C004350 | MESH_SUPPLEMENTAL_RECORD_UI |
| 1696 | INN_ID |
| 5588-22-7 | SECONDARY_CAS_RN |
| 3W4327W76O | UNII |
| 008203 | NDDF |
| 008204 | NDDF |
| 96260001 | SNOMEDCT_US |
| 3W4327W76O | INXIGHT DRUGS |
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