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| Stem definition | Drug id | CAS RN |
|---|---|---|
| bronchodilators, phenethylamine derivatives | 2368 | 54063-54-6 |
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| Property | Value | Reference |
|---|---|---|
| BA (Bioavailability) | 50 % | Kim MT, Sedykh A, Chakravarti SK, Saiakhov RD, Zhu H |
| Property | Description | Value | Unit | Confidence | Similarity |
|---|---|---|---|---|---|
| kinase-safety-class | ACVR2A,ACVR2B,ALK,AURKA,AXL,BRAF,BTK,CAMK2B,CAMK2D,CDK2,CDK4,CDK5,CDK9,DDR1,DYRK1B,EGFR,EIF2AK3,EPHB4,ERBB2,FLT3,GRK2,GRK3,GSK3B,IGF1R,ITK,JAK1,JAK2,KDR,KIT,MAP3K21,MAP3K7,MAP4K1,MAPK10,MAPK7,MAPK9,MAPKAPK2,MARK4,MET,MTOR,NTRK2,PDK1,PDK2,PIK3CB,PIK3CD,PIM2,PLK1,PLK2,PLK3,PLK4,PRKCD,PRKDC,PTK2,SIK2,SIK3,STK33,SYK,TEK,TTK,ULK1,ULK2,ZAP70 | 61 | |||
| kinase-selectivity-class | GRK2,MAPK7,PRKDC,TEK | 4 | |||
| pfas-class | PFAS structural alert (1 = True, 0 = False) | 0 |
None
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| Source | Code | Description |
|---|---|---|
| ATC | R03AC15 | RESPIRATORY SYSTEM DRUGS FOR OBSTRUCTIVE AIRWAY DISEASES ADRENERGICS, INHALANTS Selective beta-2-adrenoreceptor agonists |
| ATC | R03AK05 | RESPIRATORY SYSTEM DRUGS FOR OBSTRUCTIVE AIRWAY DISEASES ADRENERGICS, INHALANTS Adrenergics in combination with corticosteroids or other drugs, excl. anticholinergics |
| ATC | R03CC14 | 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 |
| CHEBI has role | CHEBI:65023 | anti-asthmatic agent |
| Disease | Relation | SNOMED_ID | DOID |
|---|---|---|---|
| Asthma | indication | 195967001 | DOID:2841 |
None
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| Dissociation level | Dissociation constant | Type (acidic/basic) |
|---|---|---|
| pKa1 | 9.48 | acidic |
| pKa2 | 11.49 | acidic |
| pKa3 | 12.44 | acidic |
| pKa4 | 7.49 | Basic |
| pKa5 | 2.06 | Basic |
None
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| Target | Class | Pharos | UniProt | Action | Type | Activity value (-log[M]) | Mechanism action | Bioact source | MoA source |
|---|---|---|---|---|---|---|---|---|---|
| Beta-2 adrenergic receptor | GPCR | AGONIST | SCIENTIFIC LITERATURE | SCIENTIFIC LITERATURE |
| ID | Source |
|---|---|
| D05718 | KEGG_DRUG |
| C0073076 | UMLSCUI |
| CHEBI:135612 | CHEBI |
| CHEMBL1095607 | ChEMBL_ID |
| DB12846 | DRUGBANK_ID |
| CHEMBL2104771 | ChEMBL_ID |
| C014792 | MESH_SUPPLEMENTAL_RECORD_UI |
| 25654 | PUBCHEM_CID |
| 3501 | INN_ID |
| 13055-82-8 | SECONDARY_CAS_RN |
| 11941YC6RN | UNII |
| 235833 | RXNORM |
| 004033 | NDDF |
| 004034 | NDDF |
| 349925003 | SNOMEDCT_US |
| 396465005 | SNOMEDCT_US |
| 11941YC6RN | INXIGHT DRUGS |
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