Stem definition | Drug id | CAS RN |
---|---|---|
bronchodilators, phenethylamine derivatives | 1155 | 13392-18-2 |
Dose | Unit | Route |
---|---|---|
0.60 | mg | Inhal.aerosol |
0.60 | mg | Inhal.powder |
4 | mg | Inhal.solution |
10 | mg | O |
10 | mg | R |
Property | Value | Reference |
---|---|---|
MRTD (Maximum Recommended Therapeutic Daily Dose) | 0.08 ยตM/kg/day | Contrera JF, Matthews EJ, Kruhlak NL, Benz RD |
BDDCS (Biopharmaceutical Drug Disposition Classification System) | 1 | Hosey CM, Chan R, Benet LZ |
BA (Bioavailability) | 2 % | Kim MT, Sedykh A, Chakravarti SK, Saiakhov RD, Zhu H |
Vd (Volume of distribution) | 1.20 L/kg | Lombardo F, Berellini G, Obach RS |
CL (Clearance) | 29 mL/min/kg | Lombardo F, Berellini G, Obach RS |
fu (Fraction unbound in plasma) | 0.53 % | Lombardo F, Berellini G, Obach RS |
t_half (Half-life) | 0.87 hours | Lombardo F, Berellini G, Obach RS |
S (Water solubility) | 0.16 mg/mL | Bocci G, Oprea TI, Benet LZ |
Date | Agency | Company | Orphan |
---|---|---|---|
Jan. 1, 1965 | 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 |
---|---|---|---|---|---|---|
Congenital coronary artery malformation | 68.43 | 28.62 | 10 | 1680 | 138 | 63487194 |
Polyneuropathy | 51.53 | 28.62 | 18 | 1672 | 14571 | 63472761 |
Pancreatic steatosis | 49.19 | 28.62 | 10 | 1680 | 1006 | 63486326 |
Acute respiratory failure | 48.94 | 28.62 | 22 | 1668 | 34463 | 63452869 |
Asthmatic crisis | 48.80 | 28.62 | 11 | 1679 | 1802 | 63485530 |
Polyhydramnios | 46.34 | 28.62 | 11 | 1679 | 2260 | 63485072 |
Arterial thrombosis | 45.69 | 28.62 | 10 | 1680 | 1433 | 63485899 |
Sinus arrhythmia | 45.48 | 28.62 | 10 | 1680 | 1463 | 63485869 |
Cervical incompetence | 41.54 | 28.62 | 8 | 1682 | 609 | 63486723 |
Erysipelas | 36.77 | 28.62 | 12 | 1678 | 7893 | 63479439 |
Delirium | 32.75 | 28.62 | 19 | 1671 | 50522 | 63436810 |
Hypercapnia | 32.54 | 28.62 | 10 | 1680 | 5421 | 63481911 |
Asthma | 30.47 | 28.62 | 26 | 1664 | 127535 | 63359797 |
Renal cyst | 29.92 | 28.62 | 11 | 1679 | 10291 | 63477041 |
Systemic infection | 29.71 | 28.62 | 9 | 1681 | 4651 | 63482681 |
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 |
---|---|---|---|---|---|---|
Blood phosphorus increased | 90.02 | 28.23 | 31 | 2873 | 7690 | 34946337 |
Appendicolith | 82.98 | 28.23 | 30 | 2874 | 8571 | 34945456 |
Appendicitis | 67.20 | 28.23 | 30 | 2874 | 14777 | 34939250 |
Myasthenia gravis | 62.45 | 28.23 | 23 | 2881 | 6917 | 34947110 |
Cardiogenic shock | 61.30 | 28.23 | 34 | 2870 | 26584 | 34927443 |
Ventricular fibrillation | 57.50 | 28.23 | 31 | 2873 | 22923 | 34931104 |
Stress | 54.55 | 28.23 | 33 | 2871 | 30314 | 34923713 |
Dry mouth | 49.62 | 28.23 | 31 | 2873 | 30134 | 34923893 |
Chronic obstructive pulmonary disease | 48.98 | 28.23 | 37 | 2867 | 48881 | 34905146 |
Blood uric acid increased | 48.50 | 28.23 | 21 | 2883 | 9603 | 34944424 |
Abdominal distension | 43.15 | 28.23 | 37 | 2867 | 58455 | 34895572 |
Congenital cystic lung | 40.19 | 28.23 | 8 | 2896 | 226 | 34953801 |
Bacterial infection | 37.09 | 28.23 | 21 | 2883 | 17042 | 34936985 |
General physical health deterioration | 36.67 | 28.23 | 49 | 2855 | 128220 | 34825807 |
Ascites | 35.43 | 28.23 | 30 | 2874 | 46541 | 34907486 |
Xanthelasma | 33.45 | 28.23 | 6 | 2898 | 95 | 34953932 |
Neonatal respiratory failure | 31.07 | 28.23 | 7 | 2897 | 361 | 34953666 |
Blood cholesterol increased | 30.99 | 28.23 | 20 | 2884 | 20523 | 34933504 |
Hyperphosphataemia | 30.19 | 28.23 | 12 | 2892 | 4425 | 34949602 |
Hydrops foetalis | 29.76 | 28.23 | 8 | 2896 | 859 | 34953168 |
Tobacco abuse | 29.74 | 28.23 | 7 | 2897 | 439 | 34953588 |
Condition aggravated | 29.26 | 28.23 | 55 | 2849 | 192141 | 34761886 |
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 |
---|---|---|---|---|---|---|
Appendicolith | 95.87 | 23.91 | 30 | 4264 | 8521 | 79731573 |
Blood phosphorus increased | 94.25 | 23.91 | 31 | 4263 | 10316 | 79729778 |
Appendicitis | 69.86 | 23.91 | 30 | 4264 | 20764 | 79719330 |
Chronic obstructive pulmonary disease | 64.72 | 23.91 | 46 | 4248 | 85373 | 79654721 |
Congenital coronary artery malformation | 63.80 | 23.91 | 10 | 4284 | 106 | 79739988 |
Ventricular fibrillation | 63.39 | 23.91 | 32 | 4262 | 31894 | 79708200 |
Myasthenia gravis | 63.07 | 23.91 | 23 | 4271 | 10376 | 79729718 |
Cardiogenic shock | 60.59 | 23.91 | 34 | 4260 | 41880 | 79698214 |
General physical health deterioration | 55.42 | 23.91 | 71 | 4223 | 275167 | 79464927 |
Acute respiratory failure | 49.60 | 23.91 | 34 | 4260 | 59507 | 79680587 |
Blood uric acid increased | 47.26 | 23.91 | 20 | 4274 | 13340 | 79726754 |
Pancreatic steatosis | 40.96 | 23.91 | 10 | 4284 | 1135 | 79738959 |
Stress | 40.80 | 23.91 | 34 | 4260 | 79578 | 79660516 |
Ascites | 40.24 | 23.91 | 33 | 4261 | 75529 | 79664565 |
Asthmatic crisis | 39.98 | 23.91 | 11 | 4283 | 1995 | 79738099 |
Abdominal distension | 39.61 | 23.91 | 40 | 4254 | 119610 | 79620484 |
Polyhydramnios | 36.92 | 23.91 | 10 | 4284 | 1710 | 79738384 |
Sinus arrhythmia | 34.90 | 23.91 | 10 | 4284 | 2100 | 79737994 |
Dry mouth | 33.94 | 23.91 | 32 | 4262 | 87987 | 79652107 |
Asthma | 33.88 | 23.91 | 39 | 4255 | 135056 | 79605038 |
Dyspnoea | 33.07 | 23.91 | 111 | 4183 | 856914 | 78883180 |
Xanthelasma | 32.89 | 23.91 | 6 | 4288 | 165 | 79739929 |
Arterial thrombosis | 32.56 | 23.91 | 10 | 4284 | 2664 | 79737430 |
Cervical incompetence | 31.59 | 23.91 | 7 | 4287 | 520 | 79739574 |
Hyperphosphataemia | 31.01 | 23.91 | 12 | 4282 | 6364 | 79733730 |
Electrocardiogram abnormal | 30.95 | 23.91 | 16 | 4278 | 16721 | 79723373 |
Polyneuropathy | 30.63 | 23.91 | 18 | 4276 | 24133 | 79715961 |
Systemic infection | 29.26 | 23.91 | 13 | 4281 | 9739 | 79730355 |
Somnolence | 28.20 | 23.91 | 48 | 4246 | 238933 | 79501161 |
Infective exacerbation of chronic obstructive airways disease | 28.01 | 23.91 | 9 | 4285 | 2775 | 79737319 |
Erysipelas | 27.93 | 23.91 | 13 | 4281 | 10837 | 79729257 |
Tobacco abuse | 27.09 | 23.91 | 7 | 4287 | 999 | 79739095 |
Analgesic therapy | 27.07 | 23.91 | 7 | 4287 | 1002 | 79739092 |
Sleep disorder therapy | 26.97 | 23.91 | 7 | 4287 | 1017 | 79739077 |
Bacterial infection | 26.36 | 23.91 | 18 | 4276 | 31262 | 79708832 |
Drug therapy | 25.86 | 23.91 | 7 | 4287 | 1194 | 79738900 |
Multiple organ dysfunction syndrome | 25.68 | 23.91 | 32 | 4262 | 120214 | 79619880 |
Hyponatraemia | 25.44 | 23.91 | 39 | 4255 | 177809 | 79562285 |
Traumatic haemorrhage | 25.14 | 23.91 | 7 | 4287 | 1326 | 79738768 |
Iron deficiency | 25.08 | 23.91 | 12 | 4282 | 10642 | 79729452 |
Condition aggravated | 23.93 | 23.91 | 70 | 4224 | 501054 | 79239040 |
None
Source | Code | Description |
---|---|---|
ATC | G02CA03 | GENITO URINARY SYSTEM AND SEX HORMONES OTHER GYNECOLOGICALS OTHER GYNECOLOGICALS Sympathomimetics, labour repressants |
ATC | R03AC04 | RESPIRATORY SYSTEM DRUGS FOR OBSTRUCTIVE AIRWAY DISEASES ADRENERGICS, INHALANTS Selective beta-2-adrenoreceptor agonists |
ATC | R03AL01 | RESPIRATORY SYSTEM DRUGS FOR OBSTRUCTIVE AIRWAY DISEASES ADRENERGICS, INHALANTS Adrenergics in combination with anticholinergics incl. triple combinations with corticosteroids |
ATC | R03CC04 | RESPIRATORY SYSTEM DRUGS FOR OBSTRUCTIVE AIRWAY DISEASES ADRENERGICS FOR SYSTEMIC USE Selective beta-2-adrenoreceptor agonists |
MeSH PA | D018663 | Adrenergic Agents |
MeSH PA | D000322 | Adrenergic Agonists |
MeSH PA | D058666 | Adrenergic beta-2 Receptor Agonists |
MeSH PA | D000318 | Adrenergic beta-Agonists |
MeSH PA | D018927 | Anti-Asthmatic Agents |
MeSH PA | D001993 | Bronchodilator Agents |
MeSH PA | D018377 | Neurotransmitter Agents |
MeSH PA | D018373 | Peripheral Nervous System Agents |
MeSH PA | D012102 | Reproductive Control Agents |
MeSH PA | D019141 | Respiratory System Agents |
MeSH PA | D013566 | Sympathomimetics |
MeSH PA | D015149 | Tocolytic Agents |
CHEBI has role | CHEBI:35522 | beta-adrenergic agonists |
CHEBI has role | CHEBI:35523 | bronchodilator |
CHEBI has role | CHEBI:35524 | sympathomimetic |
CHEBI has role | CHEBI:66993 | tocolytic drugs |
None
None
None
Dissociation level | Dissociation constant | Type (acidic/basic) |
---|---|---|
pKa1 | 9.48 | acidic |
pKa2 | 11.02 | acidic |
pKa3 | 11.67 | acidic |
pKa4 | 12.2 | acidic |
pKa5 | 8.03 | 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 | EC50 | 6.90 | WOMBAT-PK | IUPHAR | |||
Beta-2 adrenergic receptor | GPCR | IC50 | 7.22 | CHEMBL |
ID | Source |
---|---|
4025246 | VUID |
N0000171778 | NUI |
D01428 | KEGG_DRUG |
4025246 | VANDF |
C0015840 | UMLSCUI |
CHEBI:149226 | CHEBI |
CHEMBL32800 | ChEMBL_ID |
DB01288 | DRUGBANK_ID |
D005280 | MESH_DESCRIPTOR_UI |
3343 | PUBCHEM_CID |
557 | IUPHAR_LIGAND_ID |
3073 | INN_ID |
36369-23-0 | SECONDARY_CAS_RN |
1944-10-1 | SECONDARY_CAS_RN |
22M9P70OQ9 | UNII |
203124 | RXNORM |
003460 | NDDF |
003461 | NDDF |
349924004 | SNOMEDCT_US |
395976006 | SNOMEDCT_US |
396053003 | SNOMEDCT_US |
CHEMBL537445 | ChEMBL_ID |
130156-24-0 | SECONDARY_CAS_RN |
None