Common name
benzene
IUPAC name
benzene
SMILES
c1ccccc1
Common name
benzene
IUPAC name
benzene
SMILES
c1ccccc1
INCHI
InChI=1S/C6H6/c1-2-4-6-5-3-1/h1-6H
FORMULA
C6H6
Common name
benzene
IUPAC name
benzene
Molecular weight
78.112
clogP
2.116
clogS
-1.364
Frequency
0.2824
HBond Acceptor
0
HBond Donor
0
Total PolarSurface Area
0
Number of Rings
1
Rotatable Bond
0
| Drug ID | Common name | Structure CAS | Compound class | Therapeutic area |
|---|---|---|---|---|
| FDBD00770 | Anileridine |
|
Anesthetics; Nervous System; Anesthetics, General; Opioid Anesthetics; | For treatment and management of pain (systemic) and for use as an anesthesia adjunct. |
| FDBD00771 | Phenformin |
|
Hypoglycemic Agents; Drugs Used in Diabetes; Alimentary Tract and Metabolism; Blood Glucose Lowering Drugs, Excl. Insulins; Biguanides; CYP2D6 Inducers; CYP2D6 Inducers (strong); | For the reatment of type II diabetes mellitus. |
| FDBD00779 | Levosimendan |
|
Phosphodiesterase Inhibitors; Anti-Arrhythmia Agents; Cardiotonic Agents; Vasodilator Agents; Cardiovascular System; Cardiac Therapy; Cardiac Stimulants Excl. Cardiac Glycosides; | For short term treatment of acutely decompensated severe chronic heart failure (CHF). Also being investigated for use/treatment in heart disease. |
| FDBD00780 | Ceforanide |
|
Anti-Bacterial Agents; Cephalosporins; Antibacterials for Systemic Use; Antiinfectives for Systemic Use; Second-Generation Cephalosporins; | For the treatment of infections caused by susceptible organisms. |
| 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. |
| FDBD00787 | Tipranavir |
|
Anti-HIV Agents; Protease Inhibitors; Antiinfectives for Systemic Use; Direct Acting Antivirals; Antivirals for Systemic Use; Cytochrome P-450 CYP2C19 Inducers; CYP2D6 Inducers; CYP2D6 Inducers (strong); CYP3A4 Inhibitors; | For combination antiretroviral treatment of HIV-1 infected adult patients with evidence of viral replication, who are highly treatment-experienced or have HIV-1 strains resistant to multiple protease inhibitors. |
| FDBD00792 | Diethylpropion |
|
Appetite Depressants; Stimulants; Alimentary Tract and Metabolism; Centrally Acting Antiobesity Products; Antiobesity Preparations, Excl. Diet Products; | Used in the management of exogenous obesity as a short-term adjunct (a few weeks) in a regimen of weight reduction based on caloric restriction. |
| FDBD00793 | Salmeterol |
|
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 CYP2C8 Inhibitors; Cytochrome P-450 CYP2C8 Inducers; CYP3A4 Inhibitors; Beta2 Agonists; | For the treatment of asthma and chronic obstructive pulmonary disease (COPD). |
| FDBD00797 | Cycrimine |
|
Antidyskinetics; | For treatment and management of Parkinson's disease. |
| FDBD00799 | Demecarium |
|
Parasympathomimetics; Cholinergic Agents; Ophthalmologicals; Sensory Organs; Antiglaucoma Preparations and Miotics; | For the topical treatment of chronic open-angle glaucoma. |
822 ,
83
| FRAGNAME | PDBID | SIMILIRITY | XSCORE | SMILE | HAC |
|---|---|---|---|---|---|
| 4i7j_ligand_frag_0.mol2 | 4i7j | 1 | -6.96 | c1ccccc1 | 6 |
| 4i7j_ligand.mol2 | 4i7j | 1 | -6.96 | c1ccccc1 | 7 |
| 4w52_ligand_frag_0.mol2 | 4w52 | 1 | -6.95 | c1ccccc1 | 6 |
| 4w52_ligand.mol2 | 4w52 | 1 | -6.95 | c1ccccc1 | 7 |
| 1fl3_ligand_frag_0.mol2 | 1fl3 | 1 | -6.92 | c1ccccc1 | 6 |
| 220l_ligand_frag_0.mol2 | 220l | 1 | -6.92 | c1ccccc1 | 6 |
| 220l_ligand.mol2 | 220l | 1 | -6.92 | c1ccccc1 | 7 |
| 223l_ligand_frag_0.mol2 | 223l | 1 | -6.92 | c1ccccc1 | 6 |
| 223l_ligand.mol2 | 223l | 1 | -6.92 | c1ccccc1 | 7 |
| 4w55_ligand_frag_2.mol2 | 4w55 | 1 | -6.92 | c1ccccc1 | 6 |
5255 ,
526
