Common name
propylbenzene
IUPAC name
propylbenzene
SMILES
C(c1ccccc1)CC
Common name
propylbenzene
IUPAC name
propylbenzene
SMILES
C(c1ccccc1)CC
INCHI
InChI=1S/C9H12/c1-2-6-9-7-4-3-5-8-9/h3-5,7-8H,2,6H2,1H3
FORMULA
C9H12
Common name
propylbenzene
IUPAC name
propylbenzene
Molecular weight
120.192
clogP
2.998
clogS
-2.788
Frequency
0.0186
HBond Acceptor
0
HBond Donor
0
Total PolarSurface Area
0
Number of Rings
1
Rotatable Bond
2
| Drug ID | Common name | Structure CAS | Compound class | Therapeutic area |
|---|---|---|---|---|
| FDBD00801 | Phenprocoumon |
|
Anticoagulants; Antithrombotic Agents; Blood and Blood Forming Organs; Vitamin K Antagonists; Cytochrome P-450 CYP2C9 Inhibitors; Cytochrome P-450 CYP2C8 Inhibitors; Cytochrome P-450 CYP2C9 Inducers; Cytochrome P-450 CYP2C8 Inducers; CYP3A4 Inhibitors; | Used for the prevention and treatment of thromboembolic disease including venous thrombosis, thromboembolism, and pulmonary embolism as well as for the prevention of ischemic stroke in patients with atrial fibrillation (AF). |
| FDBD00837 | Formoterol |
|
Sympathomimetics; Adrenergic beta-2 Receptor Agonists; Bronchodilator Agents; Respiratory System; Drugs for Obstructive Airway Diseases; Selective Beta-2-Adrenoreceptor Agonists; Adrenergics, Inhalants; 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; | For use as long-term maintenance treatment of asthma in patients 6 years of age and older with reversible obstructive airways disease, including patients with symptoms of nocturnal asthma, who are using optimal corticosteroid treatment and experiencing regular or frequent breakthrough symptoms requiring use of a short-acting bronchodilator. Not indicated for asthma that can be successfully managed with occasional use of an inhaled, short-acting beta2-adrenergic agonist. Also used for the prevention of exercise-induced bronchospasm, as well as long-term treatment of bronchospasm associated with COPD. |
| FDBD00866 | Cinacalcet |
|
Systemic Hormonal Preparations, Excl. Sex Hormones and Insulins; Anti-Parathyroid Agents; Calcium Homeostasis; Cytochrome P-450 CYP1A2 Inhibitors; Cytochrome P-450 CYP1A2 Inducers; Calcimimetic Agents; CYP2D6 Inducers; CYP2D6 Inducers (strong); CYP3A4 Inhibitors; | For the treatment of secondary hyperparathyroidism in patients with Chronic Kidney Disease who are on hemodialysis or peritoneal dialysis. Also for the treatment of hypercalcemia in patients with parathyroid carcinoma. |
| FDBD00889 | Tolterodine |
|
Muscarinic Antagonists; Anti-Incontinence Agents; Antispasmodics; Muscle Relaxants, Genitourinary; Genito Urinary System and Sex Hormones; Drugs for Urinary Frequency and Incontinence; Cytochrome P-450 CYP2C9 Inhibitors; Urological Agents; Cytochrome P-450 CYP2C9 Inducers; Cytochrome P-450 CYP2C19 Inducers; CYP2D6 Inducers; CYP2D6 Inducers (strong); CYP3A4 Inhibitors; | For the treatment of overactive bladder (with symptoms of urinary frequency, urgency, or urge incontinence). |
| FDBD00890 | Selegiline |
|
Antiparkinson Agents; Neuroprotective Agents; Monoamine Oxidase Inhibitors; Antidyskinetics; Dopaminergics; Nervous System; Antidepressants; Psychoanaleptics; Anti-Parkinson Drugs; Dopaminergic Agents; Monoamine Oxidase B Inhibitors; Cytochrome P-450 CYP1A2 Inhibitors; Cytochrome P-450 CYP2C9 Inhibitors; Cytochrome P-450 CYP1A2 Inducers; Cytochrome P-450 CYP2C8 Inhibitors; Cytochrome P-450 CYP2C9 Inducers; Cytochrome P-450 CYP2C19 Inducers; Cytochrome P-450 CYP2C8 Inducers; Cytochrome P-450 CYP2B6 Inducers; Cytochrome P-450 CYP2B6 Inhibitors; CYP2A6 Inhibitors; CYP2A6 Inhibitors (strong); CYP2A6 Inhibitors (moderate); CYP2A6 Inducers; CYP2A6 Inducers (strong); CYP2B6 Inhibitors (strong); CYP2D6 Inducers; CYP2D6 Inducers (strong); CYP2E1 Inhibitors; CYP2E1 Inducers; CYP2E1 Inducers (strong); CYP3A4 Inhibitors; | Monotherapy for initial treatment of Parkinson's disease, as well as an adjunct therapy in patients with a decreased response to levodopa/carbadopa. Also used for the palliative treatment of mild to moderate Alzheimer's disease and at higher doses, for the treatment of depression. |
| FDBD01037 | Dexfenfluramine |
|
Serotonin Uptake Inhibitors; Anti-Obesity Agents; Serotonin Receptor Agonists; Alimentary Tract and Metabolism; Centrally Acting Antiobesity Products; Antiobesity Preparations, Excl. Diet Products; 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; CYP2A6 Inhibitors; CYP2A6 Inhibitors (strong); CYP2A6 Inhibitors (moderate); CYP2A6 Inducers; CYP2A6 Inducers (strong); CYP2D6 Inducers; CYP2D6 Inducers (strong); CYP2E1 Inhibitors; CYP2E1 Inducers; CYP2E1 Inducers (strong); | For the management of obesity including weight loss and maintenance of weight loss in patients on a reduced calorie diet. |
| FDBD01099 | Lisdexamfetamine |
|
Central Nervous System Stimulants; Dopamine Uptake Inhibitors; Adrenergic alpha-1 Receptor Antagonists; Nervous System; Psychoanaleptics; Centrally Acting Sympathomimetics; Psychostimulants, Agents Used for Adhd and Nootropics; | For the treatment of Attention Deficit/Hyperactivity Disorder (ADHD) in pediatric populations aged 6 to 12 years. |
| 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. |
| FDBD01127 | Fosamprenavir |
|
Anti-HIV Agents; Protease Inhibitors; HIV Protease Inhibitors; Prodrugs; Antiinfectives for Systemic Use; Direct Acting Antivirals; Antivirals for Systemic Use; CYP3A4 Inhibitors; | Indicated in combination with other antiretroviral agents for the treatment of human immunodeficiency virus (HIV-1) infection, as well as postexposure prophylaxis of HIV infection in individuals who have had occupational or nonoccupational exposure to potentially infectious body fluids of a person known to be infected with HIV when that exposure represents a substantial risk for HIV transmission. The use of fosamprenavir is pending revision due to a potential association between the drug and myocardial infarction and dyslipidemia in HIV infected adults. |
| FDBD01144 | Cilazapril |
|
Angiotensin-Converting Enzyme Inhibitors; Antihypertensive Agents; Cardiovascular System; Agents Acting on the Renin-Angiotensin System; ACE Inhibitors, Plain; ACE Inhibitors and Diuretics; | Cilazapril is an ACE inhibtor class drug used in the treatment of hypertension and heart failure. |
54 ,
6
| FRAGNAME | PDBID | SIMILIRITY | XSCORE | SMILE | HAC |
|---|---|---|---|---|---|
| 184l_ligand.mol2 | 184l | 1 | -7.92 | c1(ccccc1)CC(C)C | 11 |
| 4w55_ligand.mol2 | 4w55 | 1 | -7.78 | CCCc1ccccc1 | 10 |
| 2p1c_ligand_3_83.mol2 | 2p1c | 1 | -7.52 | CCCc1ccccc1 | 9 |
| 5akl_ligand_3_6.mol2 | 5akl | 1 | -7.35 | C(Cc1ccccc1)C | 9 |
| 4gid_ligand_3_281.mol2 | 4gid | 1 | -7.29 | CCCc1ccccc1 | 9 |
| 2srt_ligand_3_64.mol2 | 2srt | 1 | -7.28 | c1(ccccc1)CCC | 9 |
| 3i1y_ligand_3_3.mol2 | 3i1y | 1 | -7.28 | C(CC)c1ccccc1 | 9 |
222 ,
23
