Common name
2-methylsulfanylethanamine
IUPAC name
2-methylsulfanylethanamine
SMILES
CSCCN
Common name
2-methylsulfanylethanamine
IUPAC name
2-methylsulfanylethanamine
SMILES
CSCCN
INCHI
InChI=1S/C3H9NS/c1-5-3-2-4/h2-4H2,1H3
FORMULA
C3H9NS
Common name
2-methylsulfanylethanamine
IUPAC name
2-methylsulfanylethanamine
Molecular weight
91.175
clogP
0.096
clogS
-0.733
Frequency
0.0010
HBond Acceptor
0
HBond Donor
2
Total PolarSurface Area
51.32
Number of Rings
0
Rotatable Bond
2
| Drug ID | Common name | Structure CAS | Compound class | Therapeutic area |
|---|---|---|---|---|
| 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). |
| 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. |
3 ,
1
| FRAGNAME | PDBID | SIMILIRITY | XSCORE | SMILE | HAC |
|---|---|---|---|---|---|
| 4hj2_ligand_4_2170.mol2 | 4hj2 | 1 | -5.21 | CSCC[NH3+] | 5 |
| 4bbg_ligand_3_33.mol2 | 4bbg | 1 | -5.17 | CSCC[NH3+] | 5 |
| 4hj2_ligand_5_5516.mol2 | 4hj2 | 0.833333 | -5.43 | CCSCC[NH3+] | 6 |
| 4hj2_ligand_5_5936.mol2 | 4hj2 | 0.714286 | -5.16 | S(C)CC[NH2+]C | 6 |
| 1q65_ligand_4_4.mol2 | 1q65 | 0.714286 | -5.08 | [NH+](C)(C)CCSC | 7 |
| 4eg4_ligand_2_2.mol2 | 4eg4 | 0.6 | -5.99 | CCSC | 4 |
| 4ega_ligand_2_2.mol2 | 4ega | 0.6 | -5.99 | CCSC | 4 |
| 4eg5_ligand_2_2.mol2 | 4eg5 | 0.6 | -5.98 | CCSC | 4 |
| 4eg6_ligand_2_2.mol2 | 4eg6 | 0.6 | -5.98 | C(SC)C | 4 |
148 ,
15
