Common name
fluorobenzene
IUPAC name
fluorobenzene
SMILES
Fc1ccccc1
Common name
fluorobenzene
IUPAC name
fluorobenzene
SMILES
Fc1ccccc1
INCHI
InChI=1S/C6H5F/c7-6-4-2-1-3-5-6/h1-5H
FORMULA
C6H5F
Common name
fluorobenzene
IUPAC name
fluorobenzene
Molecular weight
96.102
clogP
2.398
clogS
-1.833
Frequency
0.0237
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 |
|---|---|---|---|---|
| FDBD00103 | Citalopram |
|
Antidepressive Agents, Second-Generation; Serotonin Uptake Inhibitors; Antidepressive Agents; Nervous System; Antidepressants; Psychoanaleptics; Selective Serotonin Reuptake Inhibitors; Cytochrome P-450 CYP1A2 Inhibitors; Cytochrome P-450 CYP1A2 Inducers; Cytochrome P-450 CYP2C19 Inducers; Cytochrome P-450 CYP2B6 Inducers; Cytochrome P-450 CYP2B6 Inhibitors; CYP2B6 Inhibitors (strong); CYP2D6 Inducers; CYP2D6 Inducers (strong); CYP2E1 Inhibitors; CYP2E1 Inducers; CYP2E1 Inducers (strong); CYP3A4 Inhibitors; | For the treatment of depression. Unlabeled indications include: treatment of mild dementia-associated agitation in nonpsychotic patients, smoking cessation, ethanol abuse, obsessive-compulsive disorder (OCD) in children, and diabetic neuropathy. |
| FDBD00325 | Droperidol |
|
Antipsychotic Agents; Adjuvants, Anesthesia; Adrenergic alpha-1 Receptor Antagonists; Antiemetics; Dopamine Antagonists; Nervous System; Psycholeptics; Butyrophenone Derivatives; Dopamine D2 Receptor Antagonists; | Droperidol is ssed to produce tranquilization and to reduce the incidence of nausea and vomiting in surgical and diagnostic procedures. |
| FDBD00375 | Haloperidol |
|
Antipsychotic Agents; Antiemetics; Dopamine Antagonists; Anti-Dyskinesia Agents; Butyrophenones; Antidyskinetics; Nervous System; Psycholeptics; Butyrophenone Derivatives; 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; CYP2D6 Inducers; CYP2D6 Inducers (strong); CYP3A4 Inhibitors; Combined Inhibitors of CYP3A4 and P-glycoprotein; | For the management of psychotic disorders (eg. schizophrenia) and delirium, as well as to control tics and vocal utterances of Tourette's syndrome (Gilles de la Tourette's syndrome). Also used for the treatment of severe behavioural problems in children with disrubtive behaviour disorder or ADHD (attention-deficit hyperactivity disorder). Haloperidol has been used in the prevention and control of severe nausea and vomiting. |
| FDBD00466 | Linezolid |
|
Anti-Bacterial Agents; Protein Synthesis Inhibitors; Antibacterials for Systemic Use; Antiinfectives for Systemic Use; | For the treatment of bacterial infections caused by susceptible strains of vancomycin resistant . |
| FDBD00469 | Cisapride |
|
Gastrointestinal Agents; Anti-Ulcer Agents; Serotonin Receptor Agonists; Prokinetic Agents; Alimentary Tract and Metabolism; Drugs for Functional Gastrointestinal Disorders; Propulsives; 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); CYP3A4 Inhibitors; | For the symptomatic treatment of adult patients with nocturnal heartburn due to gastroesophageal reflux disease. |
| FDBD00502 | Astemizole |
|
Anti-Allergic Agents; Histamine H1 Antagonists, Non-Sedating; Histamine Antagonists; Respiratory System; Antihistamines for Systemic Use; CYP2D6 Inducers; CYP2D6 Inducers (strong); CYP3A4 Inhibitors; Combined Inhibitors of CYP3A4 and P-glycoprotein; | Astemizole was indicated for use in the relieving allergy symptoms, particularly rhinitis and conjunctivitis. It has been withdrawn from the market however due to concerns of arrhythmias. |
| FDBD00538 | Aprepitant |
|
Antiemetics; Alimentary Tract and Metabolism; Antiemetics and Antinauseants; 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; CYP3A4 Inhibitors; Neurokinin-1 Receptor Antagonists; | For the prevention of nausea and vomiting associated with highly emetogenic cancer chemotherapy, including high-dose cisplatin (in combination with other antiemetic agents). |
| FDBD00548 | Midazolam |
|
Anti-Anxiety Agents; Hypnotics and Sedatives; Anesthetics, Intravenous; Adjuvants, Anesthesia; GABA Modulators; Nervous System; Benzodiazepine Derivatives; Psycholeptics; Cytochrome P-450 CYP2B6 Inducers; Cytochrome P-450 CYP2B6 Inhibitors; CYP2B6 Inhibitors (strong); CYP2E1 Inhibitors; CYP2E1 Inducers; CYP2E1 Inducers (strong); CYP3A4 Inhibitors; Combined Inhibitors of CYP3A4 and P-glycoprotein; | The midazolam injection is indicated for preoperative sedation/anziolysis/amnesia. It is also an agent for sedation/anziolysis/amnesia prior to or during diagnostic, therapeutic, or endoscopic procedures. Midazolam can also be given intravenously for induction of general anaesthesia. |
| FDBD00555 | Flurazepam |
|
Anti-Anxiety Agents; Hypnotics and Sedatives; GABA Modulators; Nervous System; Benzodiazepine Derivatives; Psycholeptics; CYP2A6 Inhibitors; CYP2A6 Inhibitors (strong); CYP2A6 Inhibitors (moderate); CYP2A6 Inducers; CYP2A6 Inducers (strong); CYP2E1 Inhibitors; CYP2E1 Inducers; CYP2E1 Inducers (strong); CYP3A4 Inhibitors; | For short-term and intermittent use in patients with recurring insomnia and poor sleeping habits. |
| FDBD00576 | Flurbiprofen |
|
Anti-Inflammatory Agents, Non-Steroidal; Cyclooxygenase Inhibitors; Analgesics; Respiratory System; Ophthalmologicals; Sensory Organs; Throat Preparations; Musculo-Skeletal System; Antiinflammatory Agents; Antiinflammatory and Antirheumatic Products, Non-Steroids; Antiinflammatory and Antirheumatic Products; Antiinflammatory Preparations, Non-Steroids for Topical Use; Topical Products for Joint and Muscular Pain; Propionic Acid Derivatives; Cytochrome P-450 CYP2C9 Inhibitors; Cytochrome P-450 CYP2C9 Inducers; | Flurbiprofen tablets are indicated for the acute or long-term symptomatic treatment of rheumatoid arthritis, osteorarthritis and anklosing spondylitis. It may also be used to treat pain associated with dysmenorrhea and mild to moderate pain accompanied by inflammation (e.g. bursitis, tendonitis, soft tissue trauma). Topical ophthalmic formulations may be used pre-operatively to prevent intraoperative miosis. |
69 ,
7
| FRAGNAME | PDBID | SIMILIRITY | XSCORE | SMILE | HAC |
|---|---|---|---|---|---|
| 1xkk_ligand_frag_10.mol2 | 1xkk | 1 | -6.81 | c1cccc(F)c1 | 7 |
| 2rgp_ligand_frag_0.mol2 | 2rgp | 1 | -6.79 | c1ccccc1F | 7 |
| 3bel_ligand_frag_0.mol2 | 3bel | 1 | -6.78 | c1cc(ccc1)F | 7 |
| 2r4b_ligand_frag_0.mol2 | 2r4b | 1 | -6.77 | Fc1ccccc1 | 7 |
| 3fu0_ligand_frag_0.mol2 | 3fu0 | 1 | -6.77 | Fc1ccccc1 | 7 |
| 4l8m_ligand_frag_2.mol2 | 4l8m | 1 | -6.77 | Fc1ccccc1 | 7 |
| 1zz2_ligand_frag_5.mol2 | 1zz2 | 1 | -6.74 | c1ccc(cc1)F | 7 |
| 3bbt_ligand_frag_5.mol2 | 3bbt | 1 | -6.74 | c1cccc(F)c1 | 7 |
443 ,
45
