Common name
2-phenoxyethanol
IUPAC name
2-phenoxyethanol
SMILES
C(Oc1ccccc1)CO
Common name
2-phenoxyethanol
IUPAC name
2-phenoxyethanol
SMILES
C(Oc1ccccc1)CO
INCHI
InChI=1S/C8H10O2/c9-6-7-10-8-4-2-1-3-5-8/h1-5,9H,6-7H2
FORMULA
C8H10O2
Common name
2-phenoxyethanol
IUPAC name
2-phenoxyethanol
Molecular weight
138.164
clogP
1.540
clogS
-1.586
Frequency
0.0072
HBond Acceptor
2
HBond Donor
1
Total PolarSurface Area
29.46
Number of Rings
1
Rotatable Bond
3
| Drug ID | Common name | Structure CAS | Compound class | Therapeutic area |
|---|---|---|---|---|
| FDBD01028 | Propafenone |
|
Anti-Arrhythmia Agents; Voltage-Gated Sodium Channel Blockers; Cardiovascular System; Antiarrhythmics, Class I and Iii; Cardiac Therapy; Antiarrythmics, Class I and Iii; Antiarrhythmics, Class Ic; Cytochrome P-450 CYP1A2 Inhibitors; Cytochrome P-450 CYP2C9 Inhibitors; Cytochrome P-450 CYP1A2 Inducers; Cytochrome P-450 CYP2C8 Inhibitors; Cytochrome P-450 CYP2C9 Inducers; Cytochrome P-450 CYP2C8 Inducers; CYP2D6 Inducers; CYP2D6 Inducers (strong); CYP3A4 Inhibitors; | Used to prolong the time to recurrence of paroxysmal atrial fibrillation/flutter (PAF) associated with disabling symptoms in patients without structural heart disease. Also used for the treatment of life-threatening documented ventricular arrhythmias, such as sustained ventricular tachycardia. |
| FDBD01039 | Acebutolol |
|
Antihypertensive Agents; Sympathomimetics; Adrenergic beta-1 Receptor Antagonists; Anti-Arrhythmia Agents; Cardiovascular System; Beta Blocking Agents, Selective; Beta Blocking Agents; Beta Blocking Agents, Selective, and Thiazides; Beta Blocking Agents and Thiazides; CYP2D6 Inducers; CYP2D6 Inducers (strong); | For the management of hypertension and ventricular premature beats in adults. |
| FDBD01122 | Practolol |
|
Adrenergic beta-1 Receptor Antagonists; Anti-Arrhythmia Agents; Cardiovascular System; Beta Blocking Agents, Selective; Beta Blocking Agents; | Used in the emergency treatment of cardiac arrhythmias. |
| FDBD01157 | Penbutolol |
|
Antihypertensive Agents; Adrenergic beta-Antagonists; Cardiovascular System; Beta Blocking Agents; Beta Blocking Agents, Non-Selective; | Penbutolol is indicated in the treatment of mild to moderate arterial hypertension. It may be used alone or in combination with other antihypertensive agents, especially thiazide-type diuretics.Penbutolol is contraindicated in patients with cardiogenic shock, sinus bradycardia, second and third degree atrioventricular conduction block, bronchial asthma, and those with known hypersensitivity. |
| FDBD01233 | Oxprenolol |
|
Anti-Anxiety Agents; Antihypertensive Agents; Sympatholytics; Anti-Arrhythmia Agents; Vasodilator Agents; Adrenergic beta-Antagonists; Cardiovascular System; Beta Blocking Agents; Beta Blocking Agents and Thiazides; Beta Blocking Agents, Non-Selective; Beta Blocking Agents, Non-Selective, and Thiazides; CYP2D6 Inducers; CYP2D6 Inducers (strong); | Used in the treatment of hypertension, angina pectoris, arrhythmias, and anxiety. |
| FDBD01331 | Celiprolol |
|
Antihypertensive Agents; Sympathomimetics; Adrenergic beta-1 Receptor Antagonists; Anti-Arrhythmia Agents; Vasodilator Agents; Cardiovascular System; Beta Blocking Agents, Selective; Beta Blocking Agents; CYP3A4 Inhibitors; Beta2 Agonists; | Celiprolol is indicated for the management of mild to moderate hypertension and effort-induced angina pectoris. |
| FDBD01350 | Ospemifene |
|
Estrogen Antagonists; Selective Estrogen Receptor Modulators; Sex Hormones and Modulators of the Genital System; Genito Urinary System and Sex Hormones; Cytochrome P-450 CYP2C9 Inhibitors; Cytochrome P-450 CYP2C9 Inducers; Cytochrome P-450 CYP2C19 Inducers; Cytochrome P-450 CYP2B6 Inducers; Cytochrome P-450 CYP2B6 Inhibitors; CYP2B6 Inhibitors (strong); CYP3A4 Inhibitors; | Ospemifene is used for the treatment of moderate to dyspareunia, a symptom of vulvar and vaginal atrophy, due to menopause. |
| FDBD01416 | Tyloxapol |
|
Surface-Active Agents; Expectorants; Detergents; Cough and Cold Preparations; Respiratory System; | Used as a surfactant to aid liquefaction and removal of mucopurulent (containing mucus and pus) bronchopulmonary secretions, administered by inhalation through a nebulizer or with a stream of oxygen. Also investigated for use/treatment in cystic fibrosis and pediatric indications. |
| FDBD01715 | Florbetaben (18F) |
|
Diagnostic Radiopharmaceuticals; Central Nervous System; | |
| FDBD01823 | Levobetaxolol |
|
; |
21 ,
3
| FRAGNAME | PDBID | SIMILIRITY | XSCORE | SMILE | HAC |
|---|---|---|---|---|---|
| 3chs_ligand_3_52.mol2 | 3chs | 1 | -7.01 | O(c1ccccc1)CCO | 10 |
| 1ikt_ligand_4_505.mol2 | 1ikt | 1 | -6.59 | OCCOc1ccccc1 | 10 |
| 4q1c_ligand_3_0.mol2 | 4q1c | 1 | -6.29 | C(CO)Oc1ccccc1 | 10 |
| 1h08_ligand_3_0.mol2 | 1h08 | 1 | -6.18 | C(O)COc1ccccc1 | 10 |
| 2gfs_ligand_3_16.mol2 | 2gfs | 1 | -6.16 | C(CO)Oc1ccccc1 | 10 |
| 4q1a_ligand_3_0.mol2 | 4q1a | 1 | -6.11 | c1(ccccc1)OCCO | 10 |
| 4q1c_ligand_3_136.mol2 | 4q1c | 1 | -6.09 | c1ccccc1OCCO | 10 |
| 1h07_ligand_3_100.mol2 | 1h07 | 1 | -6.07 | c1ccccc1OCCO | 10 |
| 3eid_ligand_3_49.mol2 | 3eid | 1 | -6.07 | C(O)COc1ccccc1 | 10 |
174 ,
18
