Common name
4-ethylphenol
IUPAC name
4-ethylphenol
SMILES
Oc1ccc(cc1)CC
Common name
4-ethylphenol
IUPAC name
4-ethylphenol
SMILES
Oc1ccc(cc1)CC
INCHI
InChI=1S/C8H10O/c1-2-7-3-5-8(9)6-4-7/h3-6,9H,2H2,1H3
FORMULA
C8H10O
Common name
4-ethylphenol
IUPAC name
4-ethylphenol
Molecular weight
122.164
clogP
2.163
clogS
-1.962
Frequency
0.0045
HBond Acceptor
1
HBond Donor
1
Total PolarSurface Area
20.23
Number of Rings
1
Rotatable Bond
1
| 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. |
| 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. |
| FDBD00702 | Dobutamine |
|
Sympathomimetics; Cardiotonic Agents; Adrenergic beta-1 Receptor Agonists; Cardiovascular System; Cardiac Therapy; Adrenergic and Dopaminergic Agents; Cardiac Stimulants Excl. Cardiac Glycosides; Beta2 Agonists; | For inotropic support in the short- term treatment of patients with cardiac decompensation due to depressed contractility resulting either from organic heart disease or from cardiac surgical procedures. |
| FDBD00727 | Ritodrine |
|
Sympathomimetics; Adrenergic beta-2 Receptor Agonists; Tocolytic Agents; Genito Urinary System and Sex Hormones; Sympathomimetics, Labour Repressants; Beta2 Agonists; | For the treatment and prophylaxis of premature labour. |
| FDBD00952 | Arbutamine |
|
Cardiovascular System; Cardiac Therapy; Adrenergic and Dopaminergic Agents; Cardiac Stimulants Excl. Cardiac Glycosides; Beta2 Agonists; | Used to elicit acute cardiovascular responses (cardiac stumulant), similar to those produced by exercise, in order to aid in diagnosing the presence or absence of coronary artery disease (CAD) in patients who cannot exercise adequately. |
| FDBD01173 | Bezafibrate |
|
Hypolipidemic Agents; Lipid Modifying Agents, Plain; Lipid Modifying Agents; Cardiovascular System; Fibrates; Cytochrome P-450 CYP2C8 Inhibitors; Cytochrome P-450 CYP2C8 Inducers; CYP3A4 Inhibitors; | For the treatment of primary hyperlipidaemia types IIa, IIb, III, IV and V (Fredrickson classification) corresponding to groups I, II and III of the European Atherosclerosis Society guidelines - when diet alone or improvements in lifestyle such as increased exercise or weight reduction do not lead to an adequate response. Also for the treatment of secondary hyperlipidaemias, e.g. severe hypertriglyceridemias, when sufficient improvement does not occur after correction of the underlying disorder (e.g. diabetes mellitus). |
| FDBD01440 | Desvenlafaxine |
|
Serotonin Uptake Inhibitors; Neurotransmitter Uptake Inhibitors; Antidepressive Agents; Nervous System; Antidepressants; Psychoanaleptics; Serotonin and Noradrenaline Reuptake Inhibitors; CYP3A4 Inhibitors; | Desvenlafaxine is indicated for the treatment of major depressive disorder in adults. |
| FDBD01555 | Gadoxetate |
|
Contrast Media; Diagnostic Agents; Paramagnetic Contrast Media; Magnetic Resonance Imaging Contrast Media; | Gadoxetate is used as a contrast medium for magnetic resonance imaging (MRI) to detect and characterize lesions in the liver. |
| FDBD01823 | Levobetaxolol |
|
; |
13 ,
2
| FRAGNAME | PDBID | SIMILIRITY | XSCORE | SMILE | HAC |
|---|---|---|---|---|---|
| 4mga_ligand_2_2.mol2 | 4mga | 1 | -7.76 | CC(c1ccc(cc1)O)(C)C | 11 |
| 2zas_ligand_1_0.mol2 | 2zas | 1 | -7.74 | c1(ccc(cc1)C(C)C)O | 10 |
| 2e2r_ligand_1_0.mol2 | 2e2r | 1 | -7.73 | C(C)(C)c1ccc(cc1)O | 10 |
| 2p7g_ligand_1_1.mol2 | 2p7g | 1 | -7.72 | C(C)(C)c1ccc(cc1)O | 10 |
| 2e2r_ligand_1_1.mol2 | 2e2r | 1 | -7.62 | c1(ccc(cc1)O)C(C)C | 10 |
| 2ra6_ligand.mol2 | 2ra6 | 1 | -7.57 | CCc1ccc(cc1)O | 10 |
| 1ikt_ligand_3_11.mol2 | 1ikt | 1 | -7.55 | Oc1ccc(cc1)C(C)(C)C | 11 |
| 4osf_ligand_2_0.mol2 | 4osf | 1 | -7.44 | c1(ccc(cc1)CC)O | 9 |
| 4mga_ligand_1_2.mol2 | 4mga | 1 | -7.37 | c1(ccc(cc1)O)C(C)C | 10 |
| 3ftu_ligand_2_0.mol2 | 3ftu | 1 | -7.36 | CCc1ccc(cc1)O | 9 |
132 ,
14
