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 |
|---|---|---|---|---|
| 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). |
| FDBD00587 | Methoxamine |
|
Vasoconstrictor Agents; Sympathomimetics; Adrenergic alpha-1 Receptor Agonists; Cardiovascular System; Cardiac Therapy; Adrenergic and Dopaminergic Agents; Cardiac Stimulants Excl. Cardiac Glycosides; | Indicated for the treatment and management of hypotension. |
| FDBD00634 | Clidinium |
|
Anti-Arrhythmia Agents; Muscarinic Antagonists; Cholinergic Antagonists; Antispasmodics; Alimentary Tract and Metabolism; Drugs for Functional Gastrointestinal Disorders; | For the treatment of peptic ulcer disease and also to help relieve abdominal or stomach spasms or cramps due to colicky abdominal pain, diverticulitis, and irritable bowel syndrome. |
| FDBD00672 | Biperiden |
|
Antiparkinson Agents; Muscarinic Antagonists; Parasympatholytics; Antidyskinetics; Nervous System; Anti-Parkinson Drugs; Anticholinergics; Tertiary Amines; CYP2D6 Inducers; CYP2D6 Inducers (strong); | For use as an adjunct in the therapy of all forms of parkinsonism and control of extrapyramidal disorders secondary to neuroleptic drug therapy. |
| FDBD00712 | Pseudoephedrine |
|
Sympathomimetics; Bronchodilator Agents; Nasal Decongestants; Respiratory System; Nasal Preparations; Nasal Decongestants for Systemic Use; CYP2D6 Inducers; CYP2D6 Inducers (strong); Alpha2 Agonists; | For the treatment of nasal congestion, sinus congestion, Eustachian tube congestion, and vasomotor rhinitis, and as an adjunct to other agents in the optimum treatment of allergic rhinitis, croup, sinusitis, otitis media, and tracheobronchitis. Also used as first-line therapy of priapism. |
| FDBD00805 | Fexofenadine |
|
Anti-Allergic Agents; Histamine H1 Antagonists, Non-Sedating; Histamine Antagonists; Respiratory System; Antihistamines for Systemic Use; CYP2D6 Inducers; CYP2D6 Inducers (strong); | For management of Seasonal allergic rhinitis. |
| FDBD00839 | Dimenhydrinate |
|
Histamine H1 Antagonists; Antiemetics; | Used for treating vertigo, motion sickness, and nausea associated with pregnancy. |
| FDBD00926 | Diphenhydramine |
|
Anti-Allergic Agents; Hypnotics and Sedatives; Anesthetics, Local; Histamine H1 Antagonists; Antitussive Agents; Antiemetics; Antidyskinetics; Respiratory System; Dermatologicals; Antipruritics, Incl. Antihistamines, Anesthetics, Etc.; Antihistamines for Topical Use; Aminoalkyl Ethers; Antihistamines for Systemic Use; Cytochrome P-450 CYP1A2 Inhibitors; Cytochrome P-450 CYP2C9 Inhibitors; Cytochrome P-450 CYP1A2 Inducers; Cytochrome P-450 CYP2C9 Inducers; Cytochrome P-450 CYP2C19 Inducers; Cytochrome P-450 CYP2B6 Inducers; Sleep Aids, Pharmaceutical; Cytochrome P-450 CYP2B6 Inhibitors; CYP2B6 Inhibitors (strong); CYP2D6 Inducers; CYP2D6 Inducers (strong); | |
| FDBD00994 | Diphenylpyraline |
|
Histamine Antagonists; Respiratory System; Aminoalkyl Ethers; Antihistamines for Systemic Use; | For use in the treatment of allergic rhinitis, hay fever, and allergic skin disorders. |
| FDBD01019 | Orphenadrine |
|
Antiparkinson Agents; Muscarinic Antagonists; Parasympatholytics; Muscle Relaxants, Central; Antidyskinetics; Muscle Relaxants, Skeletal; Musculo-Skeletal System; Nervous System; Muscle Relaxants, Centrally Acting Agents; Muscle Relaxants; Anti-Parkinson Drugs; Anticholinergics; Ethers Chemically Close to Antihistamines; Cytochrome P-450 CYP2B6 Inducers; Cytochrome P-450 CYP2B6 Inhibitors; CYP2B6 Inhibitors (strong); CYP2E1 Inhibitors; CYP2E1 Inducers; CYP2E1 Inducers (strong); CYP3A4 Inhibitors; | Indicated for the treatment of Parkinson's disease. |
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
