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| Stem definition | Drug id | CAS RN |
|---|---|---|
| bronchodilators, phenethylamine derivatives | 2782 | 41570-61-0 |
| Dose | Unit | Route |
|---|---|---|
| 1.60 | mg | Inhal.aerosol |
| 4 | mg | O |
| Property | Value | Reference |
|---|---|---|
| BA (Bioavailability) | 48 % | Kim MT, Sedykh A, Chakravarti SK, Saiakhov RD, Zhu H |
| Property | Description | Value | Unit | Confidence | Similarity |
|---|---|---|---|---|---|
| kinase-safety-class | ACVR2A,ACVR2B,AKT1,AKT2,AKT3,AXL,BRAF,BTK,CAMK2B,CAMK2D,CDK4,CDK5,CDK9,DDR1,DYRK1B,EIF2AK3,EPHB4,ERBB2,FLT3,GRK2,ITK,JAK2,JAK3,MAP2K6,MAP3K21,MAP3K7,MAPK12,MAPK7,MET,NTRK2,PDK2,PDK4,PIK3CB,PIK3CG,PIM2,PRKDC,SIK2,SIK3,STK33,SYK,TEK,TGFBR1,ZAP70 | 43 | |||
| kinase-selectivity-class | AXL,BRAF,EIF2AK3,EPHB4,GRK2,PDK4 | 6 | |||
| pfas-class | PFAS structural alert (1 = True, 0 = False) | 0 |
None
| 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 |
|---|---|---|---|---|---|---|
| Upper respiratory tract inflammation | 33.73 | 32.28 | 7 | 704 | 2665 | 90625071 |
| 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 | 38.91 | 33.27 | 18 | 669 | 50060 | 42570588 |
| Decreased appetite | 37.08 | 33.27 | 28 | 659 | 193109 | 42427539 |
| 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 |
|---|---|---|---|---|---|---|
| Upper respiratory tract inflammation | 56.02 | 27.41 | 13 | 1628 | 4358 | 110583300 |
| Pneumonia aspiration | 46.17 | 27.41 | 23 | 1618 | 81210 | 110506448 |
| Interstitial lung disease | 34.61 | 27.41 | 23 | 1618 | 139311 | 110448347 |
| Hepatic function abnormal | 33.02 | 27.41 | 19 | 1622 | 89276 | 110498382 |
| Pneumonia | 28.05 | 27.41 | 48 | 1593 | 876666 | 109710992 |
None
| Source | Code | Description |
|---|---|---|
| ATC | R03AC11 | RESPIRATORY SYSTEM DRUGS FOR OBSTRUCTIVE AIRWAY DISEASES ADRENERGICS, INHALANTS Selective beta-2-adrenoreceptor agonists |
| ATC | R03CC11 | RESPIRATORY SYSTEM DRUGS FOR OBSTRUCTIVE AIRWAY DISEASES ADRENERGICS FOR SYSTEMIC USE Selective beta-2-adrenoreceptor agonists |
| MeSH PA | D000318 | Adrenergic beta-Agonists |
| MeSH PA | D000322 | Adrenergic Agonists |
| MeSH PA | D001993 | Bronchodilator Agents |
| MeSH PA | D018373 | Peripheral Nervous System Agents |
| MeSH PA | D018377 | Neurotransmitter Agents |
| MeSH PA | D018663 | Adrenergic Agents |
| MeSH PA | D018927 | Anti-Asthmatic Agents |
| MeSH PA | D019141 | Respiratory System Agents |
| Disease | Relation | SNOMED_ID | DOID |
|---|---|---|---|
| Pulmonary emphysema | indication | 87433001 | |
| Asthma | indication | 195967001 | DOID:2841 |
None
None
| Dissociation level | Dissociation constant | Type (acidic/basic) |
|---|---|---|
| pKa1 | 8.76 | Basic |
None
None
| Target | Class | Pharos | UniProt | Action | Type | Activity value (-log[M]) | Mechanism action | Bioact source | MoA source |
|---|---|---|---|---|---|---|---|---|---|
| Beta-2 adrenergic receptor | GPCR | AGONIST | DRUG LABEL | SCIENTIFIC LITERATURE | |||||
| Beta-2 adrenergic receptor | GPCR | Kd | 6.89 | CHEMBL |
| ID | Source |
|---|---|
| D01362 | KEGG_DRUG |
| C0077497 | UMLSCUI |
| CHEBI:749159 | CHEBI |
| CHEMBL1159717 | ChEMBL_ID |
| DB12248 | DRUGBANK_ID |
| CHEMBL1256478 | ChEMBL_ID |
| 5606 | PUBCHEM_CID |
| C010809 | MESH_SUPPLEMENTAL_RECORD_UI |
| 4564 | INN_ID |
| 56776-01-3 | SECONDARY_CAS_RN |
| 591I9SU0F7 | UNII |
| 235841 | RXNORM |
| 004061 | NDDF |
| 004062 | NDDF |
| 349929009 | SNOMEDCT_US |
| 397178007 | SNOMEDCT_US |
| 591I9SU0F7 | INXIGHT DRUGS |
None