| Stem definition | Drug id | CAS RN |
|---|---|---|
| sympathomimetic, phenethyl derivatives | 1101 | 709-55-7 |
| Dose | Unit | Route |
|---|---|---|
| 50 | mg | O |
| 50 | mg | P |
| Property | Value | Reference |
|---|---|---|
| MRTD (Maximum Recommended Therapeutic Daily Dose) | 3.94 ยตM/kg/day | Contrera JF, Matthews EJ, Kruhlak NL, Benz RD |
| BA (Bioavailability) | 55 % | Kim MT, Sedykh A, Chakravarti SK, Saiakhov RD, Zhu H |
| Vd (Volume of distribution) | 2.10 L/kg | Lombardo F, Berellini G, Obach RS |
| CL (Clearance) | 14 mL/min/kg | Lombardo F, Berellini G, Obach RS |
| fu (Fraction unbound in plasma) | 0.77 % | Lombardo F, Berellini G, Obach RS |
| t_half (Half-life) | 2.20 hours | Lombardo F, Berellini G, Obach RS |
| Date | Agency | Company | Orphan |
|---|---|---|---|
| Jan. 1, 1929 | YEAR INTRODUCED |
| 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 |
|---|---|---|---|---|---|---|
| Postoperative adhesion | 45.24 | 44.54 | 6 | 195 | 370 | 63488451 |
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 |
|---|---|---|---|---|---|---|
| Postoperative adhesion | 42.18 | 35.70 | 6 | 326 | 468 | 79743588 |
None
| Source | Code | Description |
|---|---|---|
| ATC | C01CA01 | CARDIOVASCULAR SYSTEM CARDIAC THERAPY CARDIAC STIMULANTS EXCL. CARDIAC GLYCOSIDES Adrenergic and dopaminergic agents |
| ATC | C01CA51 | 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 | D000316 | Adrenergic alpha-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 |
| MeSH PA | D014662 | Vasoconstrictor Agents |
None
None
None
| Dissociation level | Dissociation constant | Type (acidic/basic) |
|---|---|---|
| pKa1 | 10.15 | acidic |
| pKa2 | 13.78 | acidic |
| pKa3 | 8.83 | Basic |
None
None
| Target | Class | Pharos | UniProt | Action | Type | Activity value (-log[M]) | Mechanism action | Bioact source | MoA source |
|---|---|---|---|---|---|---|---|---|---|
| Beta-1 adrenergic receptor | GPCR | AGONIST | SCIENTIFIC LITERATURE | SCIENTIFIC LITERATURE |
| ID | Source |
|---|---|
| N0000166808 | NUI |
| D01573 | KEGG_DRUG |
| 943-17-9 | SECONDARY_CAS_RN |
| C0015116 | UMLSCUI |
| CHEBI:91518 | CHEBI |
| CHEMBL86882 | ChEMBL_ID |
| DB08985 | DRUGBANK_ID |
| D005039 | MESH_DESCRIPTOR_UI |
| 3306 | PUBCHEM_CID |
| 2229 | INN_ID |
| ZB6F8MY53V | UNII |
| 235960 | RXNORM |
| 004352 | NDDF |
| 004353 | NDDF |
| 734508002 | SNOMEDCT_US |
| 96255000 | SNOMEDCT_US |
None