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 |
|---|---|---|---|---|
| FDBD01402 | Alvimopan |
|
Gastrointestinal Agents; Alimentary Tract and Metabolism; Drugs for Constipation; Peripheral Opioid Receptor Antagonists; | Used to accelerate the time to upper and lower gastrointestinal recovery following partial large or small bowel resection surgery with primary anastomosis. Also investigated for use in the treatment of pain (acute or chronic). |
| FDBD01442 | Fesoterodine |
|
Muscarinic Antagonists; Anti-Incontinence Agents; Antispasmodics; Muscle Relaxants, Genitourinary; Genito Urinary System and Sex Hormones; Drugs for Urinary Frequency and Incontinence; Urological Agents; CYP2D6 Inducers; CYP2D6 Inducers (strong); CYP3A4 Inhibitors; | For the treatment of overactive bladder (with symptoms of urinary frequency, urgency, or urge incontinence). |
| FDBD01548 | Fingolimod |
|
Immunosuppressive Agents; Antineoplastic and Immunomodulating Agents; Selective Immunosuppressants; CYP2D6 Inducers; CYP2D6 Inducers (strong); CYP2E1 Inhibitors; CYP2E1 Inducers; CYP2E1 Inducers (strong); CYP3A4 Inhibitors; | Fingolimod is a sphingosine 1-phosphate receptor modulator indicated for the treatment of patients with relapsing forms of multiple sclerosis to reduce the frequency of clinical exacerbations and to delay the accumulation of physical disability. |
| FDBD01555 | Gadoxetate |
|
Contrast Media; Diagnostic Agents; Paramagnetic Contrast Media; Magnetic Resonance Imaging Contrast Media; | Gadoxetate is used as a contrast medium for magnetic resonance imaging (MRI) to detect and characterize lesions in the liver. |
| FDBD01570 | Glycerol Phenylbutyrate |
|
Ammonia Detoxicants; Alimentary Tract and Metabolism; Various Alimentary Tract and Metabolism Products; | Glycerol phenylbutyrate is a nitrogen-binding agent for the chronic management of adult and pediatric patients |
| FDBD01652 | Cobicistat |
|
Anti-HIV Agents; Antiinfectives for Systemic Use; Direct Acting Antivirals; Antivirals for Systemic Use; Cytochrome P-450 CYP3A Inhibitors; CYP2D6 Inducers; CYP2D6 Inducers (strong); | Cobicistat is a CYP3A inhibitor indicated to increase systemic exposure of atazanavir or darunavir (once daily dosing regimen) in combination with other antiretroviral agents in the treatment of HIV-1 infection. It is not interchangeable with ritonavir to increase systemic exposure of darunavir 600 mg twice daily, fosamprenavir, saquinavir, or tipranavir due to lack of exposure data. The use of cobicistat is not recommended with darunavir 600 mg twice daily, fosamprenavir, saquinavir or tipranavir. Complex or unknown mechanisms of drug interactions preclude extrapolation of ritonavir drug interactions to certain cobicistat interactions. Cobicistat and ritonavir when administered with either atazanavir or darunavir may result in different drug interactions when used with concomitant medications. |
| FDBD01671 | Trimebutine |
|
Gastrointestinal Agents; Parasympatholytics; Alimentary Tract and Metabolism; Drugs for Functional Gastrointestinal Disorders; Synthetic Anticholinergics, Esters With Tertiary Amino Group; | |
| FDBD01768 | Imidafenacin |
|
; | |
| FDBD01789 | Sacubitril |
|
Cardiovascular System; Agents Acting on the Renin-Angiotensin System; | Used in combination with valsartan to reduce the risk of cardiovascular events in patients with chronic heart failure (NYHA Class II-IV). |
| FDBD01892 | bufencarb |
|
Insecticide | Insecticide |
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
