| Stem definition | Drug id | CAS RN |
|---|---|---|
| bronchodilators, phenethylamine derivatives | 2258 | 57526-81-5 |
| Dose | Unit | Route |
|---|---|---|
| 10 | mg | P |
| Property | Value | Reference |
|---|---|---|
| MRTD (Maximum Recommended Therapeutic Daily Dose) | 1.48 ยตM/kg/day | Contrera JF, Matthews EJ, Kruhlak NL, Benz RD |
| BA (Bioavailability) | 33 % | Kim MT, Sedykh A, Chakravarti SK, Saiakhov RD, Zhu H |
| Vd (Volume of distribution) | 4.28 L/kg | Lombardo F, Berellini G, Obach RS |
| CL (Clearance) | 22.10 mL/min/kg | Lombardo F, Berellini G, Obach RS |
| t_half (Half-life) | 2.85 hours | Lombardo F, Berellini G, Obach RS |
| Date | Agency | Company | Orphan |
|---|---|---|---|
| Jan. 1, 1980 | YEAR INTRODUCED |
None
None
None
None
| Source | Code | Description |
|---|---|---|
| ATC | C01CA13 | CARDIOVASCULAR SYSTEM CARDIAC THERAPY CARDIAC STIMULANTS EXCL. CARDIAC GLYCOSIDES Adrenergic and dopaminergic agents |
| MeSH PA | D018663 | Adrenergic Agents |
| MeSH PA | D000322 | Adrenergic Agonists |
| MeSH PA | D058665 | Adrenergic beta-1 Receptor Agonists |
| MeSH PA | D000318 | Adrenergic beta-Agonists |
| MeSH PA | D002316 | Cardiotonic Agents |
| MeSH PA | D002317 | Cardiovascular Agents |
| MeSH PA | D018377 | Neurotransmitter Agents |
| MeSH PA | D018373 | Peripheral Nervous System Agents |
| MeSH PA | D020011 | Protective Agents |
| MeSH PA | D013566 | Sympathomimetics |
None
None
None
| Dissociation level | Dissociation constant | Type (acidic/basic) |
|---|---|---|
| pKa1 | 10.48 | acidic |
| pKa2 | 9.19 | Basic |
None
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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 | 6.60 | WOMBAT-PK | |||||
| Beta-2 adrenergic receptor | GPCR | Kd | 5.97 | CHEMBL |
| ID | Source |
|---|---|
| C0033051 | UMLSCUI |
| CHEBI:8391 | CHEBI |
| CHEMBL1160714 | ChEMBL_ID |
| DB13777 | DRUGBANK_ID |
| D011294 | MESH_DESCRIPTOR_UI |
| 42396 | PUBCHEM_CID |
| 537 | IUPHAR_LIGAND_ID |
| 4121 | INN_ID |
| M4G34404CX | UNII |
None