Common name
propoxybenzene
IUPAC name
propoxybenzene
SMILES
O(CCC)c1ccccc1
Common name
propoxybenzene
IUPAC name
propoxybenzene
SMILES
O(CCC)c1ccccc1
INCHI
InChI=1S/C9H12O/c1-2-8-10-9-6-4-3-5-7-9/h3-7H,2,8H2,1H3
FORMULA
C9H12O
Common name
propoxybenzene
IUPAC name
propoxybenzene
Molecular weight
136.191
clogP
2.500
clogS
-2.546
Frequency
0.0062
HBond Acceptor
1
HBond Donor
0
Total PolarSurface Area
9.23
Number of Rings
1
Rotatable Bond
3
| Drug ID | Common name | Structure CAS | Compound class | Therapeutic area |
|---|---|---|---|---|
| FDBD00246 | Anidulafungin |
|
Antifungal Agents; Antiinfectives for Systemic Use; Antimycotics for Systemic Use; | For use in the treatment of the following fungal infections: Candidemia and other forms of . |
| 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. |
| FDBD00602 | Pentamidine |
|
Antifungal Agents; Antiprotozoal Agents; Trypanocidal Agents; Antiparasitic Products, Insecticides and Repellents; Agents Against Protozoal Diseases; Agents Against Leishmaniasis and Trypanosomiasis; Aromatic Diamidines; Cytochrome P-450 CYP1A2 Inhibitors; Cytochrome P-450 CYP1A2 Inducers; Cytochrome P-450 CYP2C8 Inhibitors; Cytochrome P-450 CYP2C19 Inducers; Cytochrome P-450 CYP2C8 Inducers; CYP2D6 Inducers; CYP2D6 Inducers (strong); CYP3A4 Inhibitors; | For the treatment of pneumonia due to . |
| FDBD00638 | Tirofiban |
|
Fibrinolytic Agents; Platelet Aggregation Inhibitors; Antithrombotic Agents; Blood and Blood Forming Organs; Platelet Aggregation Inhibitors Excl. Heparin; | For treatment, in combination with heparin, of acute coronary syndrome, including patients who are to be managed medically and those undergoing PTCA or atherectomy. |
| FDBD00782 | Phenoxybenzamine |
|
Antihypertensive Agents; Vasodilator Agents; Adrenergic alpha-1 Receptor Antagonists; Adrenergic alpha-Antagonists; Cardiovascular System; Peripheral Vasodilators; CYP3A4 Inhibitors; | For the treatment of phaeochromocytoma (malignant), benign prostatic hypertrophy and malignant essential hypertension. |
| FDBD00989 | Micafungin |
|
Antifungal Agents; Antiinfectives for Systemic Use; Antimycotics for Systemic Use; | For use in the treatment of candidemia, acute disseminated candidiasis, and certain other invasive . |
| 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. |
| FDBD01333 | Dronedarone |
|
Anti-Arrhythmia Agents; Adrenergic alpha-1 Receptor Antagonists; Cardiovascular System; Antiarrhythmics, Class III; Antiarrhythmics, Class I and Iii; Cardiac Therapy; Antiarrythmics, Class I and Iii; CYP2D6 Inducers; CYP2D6 Inducers (strong); CYP3A4 Inhibitors; Combined Inhibitors of CYP3A4 and P-glycoprotein; | Management of paroxysmal or persistent atrial fibrillation via restoration of normal sinus rhythm. |
| FDBD01352 | Iloperidone |
|
Antipsychotic Agents; Adrenergic alpha-1 Receptor Antagonists; Nervous System; Psycholeptics; Cytochrome P-450 CYP1A2 Inhibitors; Cytochrome P-450 CYP1A2 Inducers; CYP2D6 Inducers; CYP2D6 Inducers (strong); CYP2E1 Inhibitors; CYP2E1 Inducers; CYP2E1 Inducers (strong); CYP3A4 Inhibitors; | Treatment of acute schizophrenia. |
| FDBD01400 | Udenafil |
|
Genito Urinary System and Sex Hormones; Drugs Used in Erectile Dysfunction; Urological Agents; CYP3A4 Inhibitors; | Investigated for use/treatment in erectile dysfunction and hypertension. |
18 ,
2
| FRAGNAME | PDBID | SIMILIRITY | XSCORE | SMILE | HAC |
|---|---|---|---|---|---|
| 3fhe_ligand_4_91.mol2 | 3fhe | 1 | -7.42 | CCCOc1ccccc1 | 10 |
| 1xm6_ligand_3_9.mol2 | 1xm6 | 1 | -7.29 | C(CC)Oc1ccccc1 | 10 |
| 3ipq_ligand_4_220.mol2 | 3ipq | 1 | -7.02 | c1cccc(c1)OCCC | 10 |
| 1pq6_ligand_4_220.mol2 | 1pq6 | 1 | -6.99 | O(CCC)c1ccccc1 | 10 |
| 1h3b_ligand_4_325.mol2 | 1h3b | 1 | -6.86 | C(Oc1ccccc1)CC | 10 |
| 4f6x_ligand_4_57.mol2 | 4f6x | 1 | -6.85 | c1cccc(c1)OCCC | 10 |
| 4h38_ligand_4_425.mol2 | 4h38 | 1 | -6.84 | O(c1ccccc1)CCC | 10 |
103 ,
11
