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 |
|---|---|---|---|---|
| FDBD00097 | Trospium |
|
Muscarinic Antagonists; Parasympatholytics; Genito Urinary System and Sex Hormones; Alimentary Tract and Metabolism; Drugs for Functional Gastrointestinal Disorders; Drugs for Urinary Frequency and Incontinence; Urological Agents; CYP2D6 Inducers; CYP2D6 Inducers (strong); | For the treatment of overactive bladder with symptoms of urge urinary incontinence, urgency, and urinary frequency, detrusor instability and frequency of micturition. |
| FDBD00099 | Midodrine |
|
Vasoconstrictor Agents; Sympathomimetics; Adrenergic alpha-1 Receptor Agonists; Cardiovascular System; Cardiac Therapy; Adrenergic and Dopaminergic Agents; Cardiac Stimulants Excl. Cardiac Glycosides; CYP2D6 Inducers; CYP2D6 Inducers (strong); | For the treatment of symptomatic orthostatic hypotension (OH). |
| FDBD00122 | Reboxetine |
|
Nervous System; Antidepressants; Psychoanaleptics; CYP2D6 Inducers; CYP2D6 Inducers (strong); CYP3A4 Inhibitors; | For the treatment of clinical depression. |
| FDBD00133 | Benzatropine |
|
Dopamine Uptake Inhibitors; Antiparkinson Agents; Muscarinic Antagonists; Parasympatholytics; Antidyskinetics; Nervous System; Ethers of Tropine or Tropine Derivatives; Anti-Parkinson Drugs; Anticholinergics; Cytochrome P-450 CYP2C19 Inducers; CYP2D6 Inducers; CYP2D6 Inducers (strong); | For use as an adjunct in the therapy of all forms of parkinsonism and also for use in the control of extrapyramidal disorders due to neuroleptic drugs. |
| FDBD00176 | Atomoxetine |
|
Adrenergic Uptake Inhibitors; Antidepressive Agents; Nervous System; Psychoanaleptics; Centrally Acting Sympathomimetics; Psychostimulants, Agents Used for Adhd and Nootropics; Cytochrome P-450 CYP2C19 Inducers; CYP2D6 Inducers; CYP2D6 Inducers (strong); CYP3A4 Inhibitors; | For the treatment of Attention-Deficit/Hyperactivity Disorder (ADHD) alone or in combination with behavioral treatment, as an adjunct to psychological, educational, social, and other remedial measures. |
| FDBD00195 | Ibutilide |
|
Anti-Arrhythmia Agents; Cardiovascular System; Antiarrhythmics, Class III; Antiarrhythmics, Class I and Iii; Cardiac Therapy; Antiarrythmics, Class I and Iii; | Indicated for the rapid conversion of atrial fibrillation or atrial flutter of recent onset to sinus rhythm. |
| FDBD00277 | Phenylpropanolamine |
|
Sympathomimetics; Appetite Depressants; Adrenergic alpha-Agonists; Nasal Decongestants; Respiratory System; Genito Urinary System and Sex Hormones; Nasal Preparations; Nasal Decongestants for Systemic Use; Cytochrome P-450 CYP1A2 Inhibitors; Urological Agents; Cytochrome P-450 CYP1A2 Inducers; Beta2 Agonists; Alpha2 Agonists; | For the treatment of nasal congestion, control of urinary incontinence, priapism and obesity. |
| FDBD00345 | Fluoxetine |
|
Antidepressive Agents, Second-Generation; Serotonin Uptake Inhibitors; Serotonin Agents; Nervous System; Antidepressants; Psychoanaleptics; Selective Serotonin Reuptake Inhibitors; 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; Cytochrome P-450 CYP2B6 Inhibitors; CYP2B6 Inhibitors (strong); CYP2D6 Inducers; CYP2D6 Inducers (strong); CYP3A4 Inhibitors; Combined Inhibitors of CYP3A4 and P-glycoprotein; | Labeled indication include: major depressive disorder (MDD), moderate to severe bulimia nervosa, obsessive-compulsive disorder (OCD), premenstrual dysphoric disorder (PMDD), panic disorder with or without agoraphobia, and combination treatment with olanzapine for treatment-resistant or bipolar I depression. Unlabeled indications include: selective mutism, mild dementia-associated agitation in nonpsychotic patients, post-traumatic stress disorder (PTSD), social anxiety disorder, chronic neuropathic pain, fibromyalgia, and Raynaud's phenomenon. |
| FDBD00362 | Sotalol |
|
Sympatholytics; Anti-Arrhythmia 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; | For the maintenance of normal sinus rhythm [delay in time to recurrence of atrial fibrillation/atrial flutter (AFIB/AFL)] in patients with symptomatic AFIB/AFL who are currently in sinus rhythm. Also for the treatment of documented life-threatening ventricular arrhythmias. |
| FDBD00465 | Monobenzone |
|
Dermatologic Agents; Dermatologicals; | Used topically to treat the loss of skin color (vitiligo). |
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
