Common name
phenol
IUPAC name
phenol
SMILES
c1ccc(cc1)O
Common name
phenol
IUPAC name
phenol
SMILES
c1ccc(cc1)O
INCHI
InChI=1S/C6H6O/c7-6-4-2-1-3-5-6/h1-5,7H
FORMULA
C6H6O
Common name
phenol
IUPAC name
phenol
Molecular weight
94.111
clogP
1.498
clogS
-0.975
Frequency
0.0897
HBond Acceptor
1
HBond Donor
1
Total PolarSurface Area
20.23
Number of Rings
1
Rotatable Bond
0
| Drug ID | Common name | Structure CAS | Compound class | Therapeutic area |
|---|---|---|---|---|
| FDBD01111 | Arformoterol |
|
Adrenergic beta-2 Receptor Agonists; Bronchodilator Agents; Cytochrome P-450 CYP2C9 Inhibitors; Cytochrome P-450 CYP2C9 Inducers; Cytochrome P-450 CYP2C19 Inducers; CYP2A6 Inhibitors; CYP2A6 Inhibitors (strong); CYP2A6 Inhibitors (moderate); CYP2A6 Inducers; CYP2A6 Inducers (strong); CYP2D6 Inducers; CYP2D6 Inducers (strong); Beta2 Agonists; | A bronchodilator used for the long term, symptomatic treatment of reversible bronchoconstriction in patients with chronic obstructive pulmonary disease (COPD), including chronic bronchitis and emphysema. |
| FDBD01116 | Fenoterol |
|
Sympathomimetics; Adrenergic beta-2 Receptor Agonists; Bronchodilator Agents; Tocolytic Agents; Respiratory System; Drugs for Obstructive Airway Diseases; Genito Urinary System and Sex Hormones; Selective Beta-2-Adrenoreceptor Agonists; Adrenergics, Inhalants; Adrenergics for Systemic Use; Sympathomimetics, Labour Repressants; Beta2 Agonists; | Fenoterol is used for the treatment of asthma. |
| 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. |
| FDBD01135 | Cefoperazone |
|
Anti-Bacterial Agents; Cephalosporins; Antibacterials for Systemic Use; Antiinfectives for Systemic Use; Antibacterials for Intramammary Use; Third-Generation Cephalosporins; | For the treatment of bacterial infections caused by susceptible microorganisms. |
| 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. |
| 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). |
| FDBD01178 | Salsalate |
|
Anti-Inflammatory Agents, Non-Steroidal; Analgesics; Salicylic Acid and Derivatives; Nervous System; | For relief of the signs and symptoms of rheumatoid arthritis, osteoarthritis and related rheumatic disorders. |
| FDBD01187 | Pranlukast |
|
Anti-Asthmatic Agents; Respiratory System; Drugs for Obstructive Airway Diseases; Leukotriene Receptor Antagonists; Cytochrome P-450 CYP2C9 Inhibitors; Cytochrome P-450 CYP2C9 Inducers; CYP3A4 Inhibitors; | Used as an adjunct to the standard therapy of inhaled steroids with inhaled long- and/or short-acting beta-agonists. |
| FDBD01203 | Oxybenzone |
|
Sunscreening Agents; | Used as an ingredient in sunscreen and other cosmetics. |
| 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. |
261 ,
27
| FRAGNAME | PDBID | SIMILIRITY | XSCORE | SMILE | HAC |
|---|---|---|---|---|---|
| 4wr8_ligand_frag_0.mol2 | 4wr8 | 1 | -7.04 | c1(ccccc1)O | 7 |
| 4i7l_ligand_frag_0.mol2 | 4i7l | 1 | -7.03 | c1(ccccc1)O | 7 |
| 4i7l_ligand.mol2 | 4i7l | 1 | -7.03 | c1(ccccc1)O | 8 |
| 1mfi_ligand_frag_0.mol2 | 1mfi | 1 | -7.02 | c1ccc(cc1)O | 7 |
| 4wrb_ligand_frag_0.mol2 | 4wrb | 1 | -7.00 | c1(ccccc1)O | 7 |
| 1ljt_ligand_frag_3.mol2 | 1ljt | 1 | -6.98 | c1cc(ccc1)O | 7 |
| 2ra6_ligand_frag_1.mol2 | 2ra6 | 1 | -6.98 | c1ccc(cc1)O | 7 |
| 2ooz_ligand_frag_0.mol2 | 2ooz | 1 | -6.97 | c1(ccccc1)O | 7 |
| 1li2_ligand_frag_0.mol2 | 1li2 | 1 | -6.94 | c1(ccccc1)O | 7 |
1122 ,
113
