Common name
methylsulfanylmethane
IUPAC name
methylsulfanylmethane
SMILES
S(C)C
Common name
methylsulfanylmethane
IUPAC name
methylsulfanylmethane
SMILES
S(C)C
INCHI
InChI=1S/C2H6S/c1-3-2/h1-2H3
FORMULA
C2H6S
Common name
methylsulfanylmethane
IUPAC name
methylsulfanylmethane
Molecular weight
62.134
clogP
0.393
clogS
-0.597
Frequency
0.0072
HBond Acceptor
0
HBond Donor
0
Total PolarSurface Area
25.3
Number of Rings
0
Rotatable Bond
0
| Drug ID | Common name | Structure CAS | Compound class | Therapeutic area |
|---|---|---|---|---|
| FDBD00011 | S-Adenosylmethionine |
|
Dietary Supplements; Micronutrients; Supplements; CYP2E1 Inhibitors; CYP2E1 Inducers; CYP2E1 Inducers (strong); | For the treatment of depression, liver disorders, fibromyalgia, and osteoarthritis.Also as a dietary supplement for the support of bone and joint health, as well as mood and emotional well being. |
| FDBD00026 | L-Methionine |
|
Antidotes; Dietary Supplements; Micronutrients; Amino Acids, Essential; Supplements; Genito Urinary System and Sex Hormones; Alimentary Tract and Metabolism; Liver Therapy; Liver Therapy, Lipotropics; Bile and Liver Therapy; Acidifiers; Urological Agents; | Used for protein synthesis including the formation of SAMe, L-homocysteine, L-cysteine, taurine, and sulfate. |
| FDBD00177 | Bleomycin |
|
Antineoplastic Agents; Immunosuppressive Agents; Antibiotics, Antineoplastic; Antineoplastic and Immunomodulating Agents; Cytotoxic Antibiotics and Related Substances; | For palliative treatment in the management malignant neoplasm (trachea, bronchus, lung), squamous cell carcinoma, and lymphomas. |
| FDBD00344 | Montelukast |
|
Anti-Asthmatic Agents; Anti-Arrhythmia Agents; Respiratory System; Drugs for Obstructive Airway Diseases; Leukotriene Receptor Antagonists; Cytochrome P-450 CYP2C9 Inhibitors; Cytochrome P-450 CYP2C8 Inhibitors; Cytochrome P-450 CYP2C9 Inducers; Cytochrome P-450 CYP2C8 Inducers; CYP2A6 Inhibitors; CYP2A6 Inhibitors (strong); CYP2A6 Inhibitors (moderate); CYP2A6 Inducers; CYP2A6 Inducers (strong); CYP3A4 Inhibitors; | For the treatment of asthma. |
| FDBD00374 | Cimetidine |
|
Anti-Ulcer Agents; Adjuvants; 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); CYP2E1 Inhibitors; CYP2E1 Inducers; CYP2E1 Inducers (strong); CYP3A4 Inhibitors; H2 Antagonists; BSEP/ABCB11 Inhibitors; Combined Inhibitors of CYP3A4 and P-glycoprotein; | For the treatment and the management of acid-reflux disorders (GERD), peptic ulcer disease, heartburn, and acid indigestion. |
| FDBD00429 | Benzthiazide |
|
Stimulants; | For the treatment of high blood pressure and management of edema. |
| FDBD00450 | Nizatidine |
|
Anti-Ulcer Agents; Alimentary Tract and Metabolism; Drugs for Peptic Ulcer and Gastro-Oesophageal Reflux Disease (Gord); Drugs for Acid Related Disorders; H2 Antagonists; | For the treatment of acid-reflux disorders (GERD), peptic ulcer disease, active benign gastric ulcer, and active duodenal ulcer. |
| FDBD00723 | Ranitidine |
|
Anti-Ulcer 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 CYP1A2 Inducers; Cytochrome P-450 CYP2C19 Inducers; CYP2D6 Inducers; CYP2D6 Inducers (strong); CYP3A4 Inhibitors; H2 Antagonists; Combined Inhibitors of CYP3A4 and P-glycoprotein; | Used in the treatment of peptic ulcer disease (PUD), dyspepsia, stress ulcer prophylaxis, and gastroesophageal reflux disease (GERD). |
| FDBD00783 | Famotidine |
|
Anti-Ulcer Agents; Alimentary Tract and Metabolism; Drugs for Peptic Ulcer and Gastro-Oesophageal Reflux Disease (Gord); Drugs for Acid Related Disorders; Cytochrome P-450 CYP2C19 Inducers; H2 Antagonists; | For the treatment of peptic ulcer disease (PUD) and gastroesophageal reflux disease (GERD). |
| FDBD01032 | Pergolide |
|
Dopamine Agonists; Antidyskinetics; Nervous System; Anti-Parkinson Drugs; Dopaminergic Agents; CYP2D6 Inducers; CYP2D6 Inducers (strong); CYP3A4 Inhibitors; Alpha2 Agonists; | Indicated as adjunctive treatment to levodopa/carbidopa in the management of the signs and symptoms of Parkinson's disease. It was withdrawn from the US and Canadian markets in 2007 due to an increased risk of cardiac valvulopathy. |
21 ,
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| FRAGNAME | PDBID | SIMILIRITY | XSCORE | SMILE | HAC |
|---|---|---|---|---|---|
| 4ega_ligand_1_2.mol2 | 4ega | 1 | -5.61 | S(C)C | 3 |
| 4eg4_ligand_1_2.mol2 | 4eg4 | 1 | -5.60 | CSC | 3 |
| 4eg6_ligand_1_2.mol2 | 4eg6 | 1 | -5.60 | CSC | 3 |
| 4eg7_ligand_1_2.mol2 | 4eg7 | 1 | -5.59 | S(C)C | 3 |
| 4eg5_ligand_1_2.mol2 | 4eg5 | 1 | -5.58 | S(C)C | 3 |
| 3chg_ligand_frag_1.mol2 | 3chg | 1 | -5.57 | S(C)C | 3 |
| 1pfy_ligand_1_3.mol2 | 1pfy | 1 | -5.55 | CSC | 3 |
| 1pg2_ligand_1_2.mol2 | 1pg2 | 1 | -5.54 | CSC | 3 |
| 3f3d_ligand_1_2.mol2 | 3f3d | 1 | -5.53 | CSC | 3 |
| 4gbd_ligand_1_2.mol2 | 4gbd | 1 | -5.52 | S(C)C | 3 |
179 ,
18
