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 |
|---|---|---|---|---|
| FDBD01148 | Spirapril |
|
Cardiovascular System; Agents Acting on the Renin-Angiotensin System; ACE Inhibitors, Plain; | Spirapril is an ACE inhibitor class drug used to treat hypertension. |
| 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. |
| FDBD01216 | Fenethylline |
|
Nervous System; Psychoanaleptics; Centrally Acting Sympathomimetics; Psychostimulants, Agents Used for Adhd and Nootropics; | |
| FDBD01222 | Fenproporex |
|
Fenproporex is used as an appetite suppressant, and anti-obesity agent [2]; however, due to substance abuse potential, it is an illicit substance in many countries. In some countries, such as Brazil, it is still prescribed -- often in the form of diet pills (ie. Brazilian Diet Pills) which combine amphetamines, benzodiazepines, antidepressants, diuretics and laxatives. | |
| FDBD01230 | Methamphetamine |
|
Adrenergic Agents; Adrenergic Uptake Inhibitors; Central Nervous System Stimulants; Dopamine Agents; Dopamine Uptake Inhibitors; Sympathomimetics; CYP2D6 Inducers; CYP2D6 Inducers (strong); Alpha2 Agonists; | For the treatment of Attention Deficit Disorder with Hyperactivity (ADHD) and exogenous obesity. |
| FDBD01251 | Lopinavir |
|
Anti-HIV Agents; HIV Protease Inhibitors; Antiinfectives for Systemic Use; Direct Acting Antivirals; Antivirals for Systemic Use; Cytochrome P-450 CYP1A2 Inhibitors; Cytochrome P-450 CYP2C9 Inhibitors; Cytochrome P-450 CYP1A2 Inducers; Cytochrome P-450 CYP3A Inhibitors; 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; | Indicated in combination with other antiretroviral agents for the treatment of HIV-infection. |
| FDBD01266 | Alverine |
|
Parasympatholytics; Antispasmodics; Alimentary Tract and Metabolism; Drugs for Functional Gastrointestinal Disorders; | Used to relieve cramps or spasms of the stomach and intestines. It is also useful in treating irritable bowel syndrome (IBS) and similar conditions. It can also be used to help relieve period pain. Alverine citrate is also under investigation to increase the cytotoxic effects of the proteasome inhibitor MG132 on breast cancer cells. |
| FDBD01269 | Pheniramine |
|
Anti-Allergic Agents; Antipruritics; Histamine H1 Antagonists; Respiratory System; Dermatologicals; Antipruritics, Incl. Antihistamines, Anesthetics, Etc.; Antihistamines for Topical Use; Antihistamines for Systemic Use; Substituted Alkylamines; | Pheniramine is an antihistamine used to treat allergic conditions such as hay fever or urticaria. |
| FDBD01274 | Isopropamide |
|
Alimentary Tract and Metabolism; Drugs for Functional Gastrointestinal Disorders; Synthetic Anticholinergics, Quaternary Ammonium Compounds; | For the treatment of a wide range of gastrointestinal disorders, including such conditions as peptic ulcer, gastritis, hyperchlorhydria, functional diarrhea, irritable or spastic colon, pyloroduodenal irritability, pylorospasm, acute nonspecific gastroenteritis, biliary dyskinesia and chronic cholelithiasis, duodenitis, gastrointestinal spasm; it may also be used to treat genitourinary spasm. |
| FDBD01321 | Maraviroc |
|
Antiinfectives for Systemic Use; Direct Acting Antivirals; Antivirals for Systemic Use; CYP3A4 Inhibitors; CCR5 Receptor Antagonists; | For treatment-experienced adult patients infected with only CCR5-tropic HIV-1 detectable, who have evidence of viral replication and HIV-1 strains resistant to multiple antiretroviral agents. |
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
