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 |
|---|---|---|---|---|
| FDBD00076 | Esmolol |
|
Adrenergic beta-1 Receptor Antagonists; Cardiovascular System; Beta Blocking Agents, Selective; Beta Blocking Agents; | For the rapid control of ventricular rate in patients with atrial fibrillation or atrial flutter in perioperative, postoperative, or other emergent circumstances where short term control of ventricular rate with a short-acting agent is desirable. Also used in noncompensatory sinus tachycardia where the rapid heart rate requires specific intervention. |
| FDBD00084 | Betaxolol |
|
Antihypertensive Agents; Adrenergic beta-1 Receptor Antagonists; Sympatholytics; EENT Preparations; Ophthalmologicals; Sensory Organs; Cardiovascular System; Beta Blocking Agents, Selective; Beta Blocking Agents; Antiglaucoma Preparations and Miotics; Cytochrome P-450 CYP1A2 Inhibitors; Cytochrome P-450 CYP1A2 Inducers; CYP2D6 Inducers; CYP2D6 Inducers (strong); | For the management of hypertension. |
| FDBD00131 | Ranolazine |
|
Cardiovascular Agents; Sodium Channel Blockers; Cardiovascular System; Cardiac Therapy; CYP2D6 Inducers; CYP2D6 Inducers (strong); CYP3A4 Inhibitors; | For the treatment of chronic angina. It should be used in combination with amlodipine, beta-blockers or nitrates. |
| FDBD00152 | Metoprolol |
|
Antihypertensive Agents; Adrenergic beta-1 Receptor Antagonists; Sympatholytics; Anti-Arrhythmia Agents; Cardiovascular System; Beta Blocking Agents, Selective; Beta Blocking Agents; Beta Blocking Agents, Selective, and Thiazides; Beta Blocking Agents and Thiazides; Cytochrome P-450 CYP2C19 Inducers; CYP2D6 Inducers; CYP2D6 Inducers (strong); | For the management of acute myocardial infarction, angina pectoris, heart failure and mild to moderate hypertension. May be used to treat supraventricular and tachyarrhythmias and as prophylaxis for migraine headaches. |
| FDBD00174 | Travoprost |
|
Antihypertensive Agents; Prostaglandins, Synthetic; Anti-glaucoma Agents; Ophthalmics; Ophthalmologicals; Sensory Organs; Antiglaucoma Preparations and Miotics; Prostaglandin Analogues; | Ophthalmic solution used for the reduction of elevated intraocular pressure in patients with open-angle glaucoma or ocular hypertension who are intolerant of other intraocular pressure lowering medications or insufficiently responsive (failed to achieve target IOP determined after multiple measurements over time) to another intraocular pressure lowering medication. |
| FDBD00220 | Atenolol |
|
Antihypertensive Agents; Adrenergic beta-1 Receptor Antagonists; Sympatholytics; Anti-Arrhythmia Agents; Cardiovascular System; Beta Blocking Agents, Selective; Beta Blocking Agents; Beta Blocking Agents, Selective, and Thiazides; Beta Blocking Agents and Thiazides; | For the management of hypertention and long-term management of patients with angina pectoris. |
| FDBD00300 | Methocarbamol |
|
Muscle Relaxants, Central; Musculo-Skeletal System; Muscle Relaxants, Centrally Acting Agents; Muscle Relaxants; Carbamic Acid Esters; | For use as an adjunct to rest, physical therapy, and other measures for the relief of discomforts associated with acute, painful musculoskeletal conditions. |
| FDBD00477 | Bisoprolol |
|
Antihypertensive Agents; Adrenergic beta-1 Receptor Antagonists; Sympatholytics; Cardiovascular System; Agents Acting on the Renin-Angiotensin System; Beta Blocking Agents, Selective; Beta Blocking Agents; Beta Blocking Agents, Selective, and Thiazides; Beta Blocking Agents and Thiazides; CYP2D6 Inducers; CYP2D6 Inducers (strong); CYP3A4 Inhibitors; | For management of heart failure, angina pectoris, and mild to moderate hypertension and for secondary prevention of myocardial infarction (MI). |
| FDBD00726 | Alprenolol |
|
Antihypertensive Agents; Sympatholytics; Anti-Arrhythmia Agents; Adrenergic beta-Antagonists; Cardiovascular System; Beta Blocking Agents; Beta Blocking Agents, Non-Selective; CYP2D6 Inducers; CYP2D6 Inducers (strong); | For the treatment of hypertension, angina, and arrhythmia. |
| FDBD00734 | Guaifenesin |
|
Expectorants; Cough and Cold Preparations; Respiratory System; Musculo-Skeletal System; Muscle Relaxants, Centrally Acting Agents; Muscle Relaxants; | Used to assist the expectoration of phlegm from the airways in acute respiratory tract infections. |
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
