Common name
1,1,1-trifluoroethane
IUPAC name
1,1,1-trifluoroethane
SMILES
CC(F)(F)F
Common name
1,1,1-trifluoroethane
IUPAC name
1,1,1-trifluoroethane
SMILES
CC(F)(F)F
INCHI
InChI=1S/C2H3F3/c1-2(3,4)5/h1H3
FORMULA
C2H3F3
Common name
1,1,1-trifluoroethane
IUPAC name
1,1,1-trifluoroethane
Molecular weight
84.040
clogP
1.416
clogS
-1.043
Frequency
0.0072
HBond Acceptor
0
HBond Donor
0
Total PolarSurface Area
0
Number of Rings
0
Rotatable Bond
0
| Drug ID | Common name | Structure CAS | Compound class | Therapeutic area |
|---|---|---|---|---|
| FDBD00323 | Lansoprazole |
|
Enzyme Inhibitors; Anti-Ulcer Agents; Proton Pump Inhibitors; Anti-Infective Agents; Alimentary Tract and Metabolism; Drugs for Peptic Ulcer and Gastro-Oesophageal Reflux Disease (Gord); Drugs for Acid Related Disorders; 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; CYP2D6 Inducers; CYP2D6 Inducers (strong); CYP3A4 Inhibitors; Combined Inhibitors of CYP3A4 and P-glycoprotein; | For the treatment of acid-reflux disorders (GERD), peptic ulcer disease, H. pylori eradication, and prevention of gastroinetestinal bleeds with NSAID use. |
| FDBD00663 | Halazepam |
|
Anti-Anxiety Agents; Hypnotics and Sedatives; Benzodiazepines; Neuromuscular Agents; Nervous System; Benzodiazepine Derivatives; Anxiolytics; Psycholeptics; | Used to relieve anxiety, nervousness, and tension associated with anxiety disorders. |
| FDBD01041 | Flecainide |
|
Anti-Arrhythmia Agents; Voltage-Gated Sodium Channel Blockers; Cardiovascular System; Antiarrhythmics, Class I and Iii; Cardiac Therapy; Antiarrythmics, Class I and Iii; Antiarrhythmics, Class Ic; Cytochrome P-450 CYP2C9 Inhibitors; Cytochrome P-450 CYP2C9 Inducers; CYP2D6 Inducers; CYP2D6 Inducers (strong); | Flecainide is is a class Ic antiarrhythmic agent and as such, it is used for the prevention of paroxysmal supraventricular tachycardias (PSVT), including atrioventricular nodal reentrant tachycardia, atrioventricular reentrant tachycardia and other supraventricular tachycardias of unspecified mechanism associated with disablin. |
| FDBD01080 | Sevoflurane |
|
Platelet Aggregation Inhibitors; Anesthetics, Inhalation; Anesthetics; Nervous System; Halogenated Hydrocarbons; Anesthetics, General; 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); CYP2E1 Inhibitors; CYP2E1 Inducers; CYP2E1 Inducers (strong); CYP3A4 Inhibitors; | Used for induction and maintenance of general anesthesia in adult and pediatric patients for inpatient and outpatient surgery. |
| FDBD01130 | Polythiazide |
|
Antihypertensive Agents; Diuretics; Sodium Chloride Symporter Inhibitors; Cardiovascular System; Thiazides, Plain; Low-Ceiling Diuretics, Thiazides; | Polythiazide is a thiazide diuretic used to decrease edema and decrease blood pressure. |
| FDBD01240 | Quazepam |
|
Hypnotics and Sedatives; Benzodiazepines; Nervous System; Benzodiazepine Derivatives; Psycholeptics; Cytochrome P-450 CYP2C9 Inhibitors; Cytochrome P-450 CYP2C9 Inducers; Cytochrome P-450 CYP2C19 Inducers; CYP3A4 Inhibitors; | Used to treat insomnia. |
| FDBD01385 | Silodosin |
|
Adrenergic alpha-1 Receptor Antagonists; Adrenergic alpha-Antagonists; Genito Urinary System and Sex Hormones; Drugs Used in Benign Prostatic Hypertrophy; Urological Agents; CYP3A4 Inhibitors; | Treatment for symptomatic relief of benign prostatic hyperplasia . |
| FDBD01417 | Cangrelor |
|
Platelet Aggregation Inhibitors; Antithrombotic Agents; Blood and Blood Forming Organs; Platelet Aggregation Inhibitors Excl. Heparin; Purinergic P2Y Receptor Antagonists; | For use as an adjunct to percutaneous coronary intervention (PCI) for reducing the risk of periprocedural myocardial infarction (MI), repeat coronary revascularization, and stent thrombosis (ST) in patients in who have not been treated with a P2Y12 platelet inhibitor and are not being given a glycoprotein IIb/IIIa inhibitor. |
| FDBD01537 | Lomitapide |
|
Hypolipidemic Agents; Lipid Modifying Agents, Plain; Lipid Modifying Agents; Cardiovascular System; CYP3A4 Inhibitors; | Used in homozygous familial hypercholesterolemia (HoFH) patients to reduce low-density lipoprotein cholesterol (LDL-C), total cholesterol (TC), apolipoprotein B (apo B), and non-high-density lipoprotein cholesterol (non-HDL-C). |
| FDBD02234 | acrinathrin |
|
Insecticide | Insecticide |
21 ,
3
| FRAGNAME | PDBID | SIMILIRITY | XSCORE | SMILE | HAC |
|---|---|---|---|---|---|
| 4m3b_ligand_1_0.mol2 | 4m3b | 1 | -5.90 | FC(F)(F)C | 5 |
| 4m3d_ligand_1_7.mol2 | 4m3d | 1 | -5.90 | CC(F)(F)F | 5 |
| 4m3e_ligand_1_0.mol2 | 4m3e | 1 | -5.90 | CC(F)(F)F | 5 |
| 4m3g_ligand_1_4.mol2 | 4m3g | 1 | -5.86 | C(F)(F)(F)C | 5 |
| 2g71_ligand_1_4.mol2 | 2g71 | 1 | -5.82 | C(F)(F)(F)C | 5 |
| 2hvc_ligand_1_3.mol2 | 2hvc | 1 | -5.64 | CC(F)(F)F | 5 |
127 ,
13
