Common name
N-methylacetamide
IUPAC name
N-methylacetamide
SMILES
N(C(=O)C)C
Common name
N-methylacetamide
IUPAC name
N-methylacetamide
SMILES
N(C(=O)C)C
INCHI
InChI=1S/C3H7NO/c1-3(5)4-2/h1-2H3,(H,4,5)
FORMULA
C3H7NO
Common name
N-methylacetamide
IUPAC name
N-methylacetamide
Molecular weight
73.094
clogP
-0.391
clogS
-0.518
Frequency
0.0175
HBond Acceptor
1
HBond Donor
1
Total PolarSurface Area
29.1
Number of Rings
0
Rotatable Bond
0
| Drug ID | Common name | Structure CAS | Compound class | Therapeutic area |
|---|---|---|---|---|
| FDBD01652 | Cobicistat |
|
Anti-HIV Agents; Antiinfectives for Systemic Use; Direct Acting Antivirals; Antivirals for Systemic Use; Cytochrome P-450 CYP3A Inhibitors; CYP2D6 Inducers; CYP2D6 Inducers (strong); | Cobicistat is a CYP3A inhibitor indicated to increase systemic exposure of atazanavir or darunavir (once daily dosing regimen) in combination with other antiretroviral agents in the treatment of HIV-1 infection. It is not interchangeable with ritonavir to increase systemic exposure of darunavir 600 mg twice daily, fosamprenavir, saquinavir, or tipranavir due to lack of exposure data. The use of cobicistat is not recommended with darunavir 600 mg twice daily, fosamprenavir, saquinavir or tipranavir. Complex or unknown mechanisms of drug interactions preclude extrapolation of ritonavir drug interactions to certain cobicistat interactions. Cobicistat and ritonavir when administered with either atazanavir or darunavir may result in different drug interactions when used with concomitant medications. |
| FDBD01662 | Nintedanib |
|
Antineoplastic Agents; Enzyme Inhibitors; Protein Kinase Inhibitors; Antineoplastic and Immunomodulating Agents; | Nintedanib is indicated for the treatment of idiopathic pulmonary fibrosis (IPF). |
| FDBD01692 | Zucapsaicin |
|
Musculo-Skeletal System; Topical Products for Joint and Muscular Pain; Capsaicin and Similar Agents; | |
| FDBD01704 | Ioxilan |
|
Contrast Media; X-Ray Contrast Media, Iodinated; Watersoluble, Nephrotropic, Low Osmolar X-Ray Contrast Media; | |
| FDBD01789 | Sacubitril |
|
Cardiovascular System; Agents Acting on the Renin-Angiotensin System; | Used in combination with valsartan to reduce the risk of cardiovascular events in patients with chronic heart failure (NYHA Class II-IV). |
| FDBD01798 | Ioxaglic acid |
|
Contrast Media; X-Ray Contrast Media, Iodinated; Watersoluble, Nephrotropic, Low Osmolar X-Ray Contrast Media; | For use as a low-osmolality contrast medium. |
| FDBD01819 | Metrizoic acid |
|
Contrast Media; Watersoluble, Nephrotropic, High Osmolar X-Ray Contrast Media; X-Ray Contrast Media, Iodinated; | For use as a contrast medium. |
| FDBD01829 | Ixazomib |
|
Antineoplastic Agents; Protease Inhibitors; Antineoplastic and Immunomodulating Agents; 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; CYP2B6 Inhibitors (strong); CYP2D6 Inducers; CYP2D6 Inducers (strong); CYP3A4 Inhibitors; | Ixazomib is indicated in combination with lenalidomide and dexamethasone for the treatment of patients with multiple myeloma who have received at least one prior therapy. |
| FDBD02077 | fosmethilan |
|
Insecticide | Insecticide |
| FDBD02109 | amidithion |
|
Insecticide | Insecticide |
51 ,
6
| FRAGNAME | PDBID | SIMILIRITY | XSCORE | SMILE | HAC |
|---|---|---|---|---|---|
| 1oth_ligand_2_12.mol2 | 1oth | 1 | -6.03 | CNC(=O)C | 5 |
| 2h3e_ligand_2_4.mol2 | 2h3e | 1 | -6.02 | C(=O)(NC)C | 5 |
| 1a7c_ligand_2_82.mol2 | 1a7c | 1 | -5.96 | CNC(=O)C | 5 |
| 2g1r_ligand_1_4.mol2 | 2g1r | 1 | -5.95 | CNC(=O)C | 5 |
| 5abe_ligand_1_0.mol2 | 5abe | 1 | -5.95 | CC(=O)NC | 5 |
| 5abh_ligand_1_6.mol2 | 5abh | 1 | -5.95 | CC(=O)NC | 5 |
| 1a7c_ligand_1_0.mol2 | 1a7c | 1 | -5.91 | N(C(=O)C)C | 5 |
| 1css_ligand_2_165.mol2 | 1css | 1 | -5.91 | CC(=O)NC | 5 |
1405 ,
141
