Common name
phenylmethanol
IUPAC name
phenylmethanol
SMILES
c1(ccccc1)CO
Common name
phenylmethanol
IUPAC name
phenylmethanol
SMILES
c1(ccccc1)CO
INCHI
InChI=1S/C7H8O/c8-6-7-4-2-1-3-5-7/h1-5,8H,6H2
FORMULA
C7H8O
Common name
phenylmethanol
IUPAC name
phenylmethanol
Molecular weight
108.138
clogP
1.743
clogS
-1.404
Frequency
0.0168
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 |
|---|---|---|---|---|
| FDBD01081 | Bromodiphenhydramine |
|
Histamine Antagonists; Respiratory System; Aminoalkyl Ethers; Antihistamines for Systemic Use; | For management of symptoms related to hay fever and other types of allergy and used to help bring up phlegm, thin secretions, and make a cough productive. |
| FDBD01132 | Cefamandole |
|
Anti-Bacterial Agents; Cephalosporins; Antibacterials for Systemic Use; Antiinfectives for Systemic Use; Second-Generation Cephalosporins; | For the treatment of serious infections caused by susceptible strains of microorganisms. |
| FDBD01134 | Cefonicid |
|
Anti-Bacterial Agents; Cephalosporins; Antibacterials for Systemic Use; Antiinfectives for Systemic Use; Second-Generation Cephalosporins; | For the treatment of bacterial infections caused by susceptible microorganisms. |
| FDBD01160 | Ephedrine |
|
Vasoconstrictor Agents; Adrenergic Agents; Central Nervous System Stimulants; Sympathomimetics; Respiratory System; Ophthalmologicals; Sensory Organs; Drugs for Obstructive Airway Diseases; Genito Urinary System and Sex Hormones; Alimentary Tract and Metabolism; Nasal Preparations; Cardiovascular System; Centrally Acting Antiobesity Products; Antiobesity Preparations, Excl. Diet Products; Cardiac Therapy; Adrenergic and Dopaminergic Agents; Cardiac Stimulants Excl. Cardiac Glycosides; Adrenergics for Systemic Use; Sympathomimetics, Plain; Sympathomimetics Excl. Antiglaucoma Preparations; Mydriatics and Cycloplegics; Alpha- and Beta-Adrenoreceptor Agonists; Urological Agents; | Ephedrine commonly used as a stimulant, appetite suppressant, concentration aid, decongestant, and to treat hypotension associated with anaesthesia. |
| FDBD01184 | Bambuterol |
|
Respiratory System; Drugs for Obstructive Airway Diseases; Selective Beta-2-Adrenoreceptor Agonists; Adrenergics for Systemic Use; Beta2 Agonists; | For the prevention and reversal of bronchospasm in patients 12 years of age and older with asthma and reversible bronchospasm associated with bronchitis and emphysema. |
| FDBD01323 | Cyclandelate |
|
Vasodilator Agents; Cardiovascular System; Peripheral Vasodilators; | Used in the treatment of various blood vessel diseases (e.g., claudication, arteriosclerosis and Raynaud's disease) and nighttime leg cramps. |
| FDBD01429 | Pasireotide |
|
Pituitary and Hypothalamic Hormones and Analogues; Systemic Hormonal Preparations, Excl. Sex Hormones and Insulins; Hypothalamic Hormones; Somatostatin and Analogues; | For the treatment of Cushing's disease, specifically for those patients whom pituitary surgery has not been curative or is not an option. |
| FDBD01559 | Mirabegron |
|
Muscle Relaxants, Genitourinary; Genito Urinary System and Sex Hormones; Drugs for Urinary Frequency and Incontinence; Urological Agents; CYP2D6 Inducers; CYP2D6 Inducers (strong); CYP3A4 Inhibitors; Adrenergic beta-3 Receptor Agonists; | Mirabegron is a beta-3 adrenergic agonist indicated for the treatment of overactive bladder (OAB) with symptoms of urge urinary incontinence, urgency, and urinary frequency. |
| FDBD01610 | Eprazinone |
|
Mucolytics; Cough and Cold Preparations; Respiratory System; | |
| FDBD01619 | Cloperastine |
|
Cough and Cold Preparations; Respiratory System; |
49 ,
5
| FRAGNAME | PDBID | SIMILIRITY | XSCORE | SMILE | HAC |
|---|---|---|---|---|---|
| 3fum_ligand_1_1.mol2 | 3fum | 1 | -7.05 | C(O)c1ccccc1 | 8 |
| 3ful_ligand_1_1.mol2 | 3ful | 1 | -7.03 | OCc1ccccc1 | 8 |
| 3chs_ligand_1_7.mol2 | 3chs | 1 | -7.00 | c1(ccccc1)CO | 8 |
| 2vj8_ligand_2_0.mol2 | 2vj8 | 1 | -6.97 | OCc1ccccc1 | 8 |
| 2bkt_ligand_2_11.mol2 | 2bkt | 1 | -6.96 | c1c(cccc1)CO | 8 |
| 3chr_ligand_2_20.mol2 | 3chr | 1 | -6.93 | OCc1ccccc1 | 8 |
| 3fty_ligand_2_2.mol2 | 3fty | 1 | -6.90 | C(c1ccccc1)O | 8 |
| 1fm9_ligand_1_10.mol2 | 1fm9 | 1 | -6.89 | C(O)c1ccccc1 | 8 |
174 ,
18
