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 |
|---|---|---|---|---|
| FDBD00524 | Acamprosate |
|
Alcohol Deterrents; Nervous System; Drugs Used in Addictive Disorders; Drugs Used in Alcohol Dependence; | For the maintenance of abstinence from alcohol in patients with alcohol dependence who are abstinent at treatment initiation. |
| FDBD00648 | Marimastat |
|
Enzyme Inhibitors; | For the treatment of various cancers. |
| FDBD00671 | Tropicamide |
|
Muscarinic Antagonists; Mydriatics; Diagnostic Agents; Ophthalmologicals; Sensory Organs; Anticholinergics; Mydriatics and Cycloplegics; | Indicated to induce mydriasis (dilation of the pupil) and cycloplegia (paralysis of the ciliary muscle of the eye) in diagnostic procedures, such as measurement of refractive errors and examination of the fundus of the eye. |
| FDBD00753 | Benzylpenicilloyl Polylysine |
|
Acetamides; | For use as a adjunct in assessing the risk of administering penicillin (benzylpenicillin or penicillin G). |
| FDBD00769 | Repaglinide |
|
Hypoglycemic Agents; Antidiabetic Agents; Meglitinides; Drugs Used in Diabetes; Alimentary Tract and Metabolism; Blood Glucose Lowering Drugs, Excl. Insulins; Cytochrome P-450 CYP2C8 Inhibitors; Cytochrome P-450 CYP2C8 Inducers; CYP3A4 Inhibitors; | As an adjunct to diet and exercise to improve glycemic control in adults with type 2 diabetes mellitus. |
| FDBD00916 | Melatonin |
|
Antioxidants; Hypnotics and Sedatives; Central Nervous System Depressants; Nervous System; Psycholeptics; Melatonin Receptor Agonists; 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; | Used orally for jet lag, insomnia, shift-work disorder, circadian rhythm disorders in the blind (evidence for efficacy), and benzodiazepine and nicotine withdrawal. Evidence indicates that melatonin is likely effective for treating circadian rhythm sleep disorders in blind children and adults. It has received FDA orphan drug status as an oral medication for this use. A number of studies have shown that melatonin may be effective for treating sleep-wake cycle disturbances in children and adolescents with mental retardation, autism, and other central nervous system disorders. It appears to decrease the time to fall asleep in children with developmental disabilities, such as cerebral palsy, autism, and mental retardation. It may also improve secondary insomnia associated with various sleep-wake cycle disturbances. Other possible uses for which there is some evidence for include: benzodiazepine withdrawal, cluster headache, delayed sleep phase syndrome (DSPS), primary insomnia, jet lag, nicotine withdrawal, preoperative anxiety and sedation, prostate cancer, solid tumors (when combined with IL-2 therapy in certain cancers), sunburn prevention (topical use), tardive dyskinesia, thrombocytopenia associated with cancer, chemotherapy and other disorders. |
| FDBD00923 | Atazanavir |
|
Anti-HIV Agents; Protease Inhibitors; HIV Protease Inhibitors; Antiinfectives for Systemic Use; Direct Acting Antivirals; Antivirals for Systemic Use; Cytochrome P-450 CYP2C9 Inhibitors; Cytochrome P-450 CYP2C9 Inducers; CYP3A4 Inhibitors; Combined Inhibitors of CYP3A4 and P-glycoprotein; | Used in combination with other antiretroviral agents for the treatment of HIV-1 infection, as well as postexposure prophylaxis of HIV infection in individuals who have had occupational or nonoccupational exposure to potentially infectious body fluids of a person known to be infected with HIV when that exposure represents a substantial risk for HIV transmission. |
| FDBD01076 | Saquinavir |
|
Protease Inhibitors; HIV Protease Inhibitors; Antiinfectives for Systemic Use; Direct Acting Antivirals; Antivirals for Systemic Use; Cytochrome P-450 CYP2C9 Inhibitors; Cytochrome P-450 CYP2C8 Inhibitors; Cytochrome P-450 CYP3A 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 HIV-1 with advanced immunodeficiency together with antiretroviral nucleoside analogues. |
| FDBD01114 | Carbetocin |
|
Oxytocics; Delayed-Action Preparations; Anti-tocolytic Agents; Labor Induction Agents; Pituitary and Hypothalamic Hormones and Analogues; Systemic Hormonal Preparations, Excl. Sex Hormones and Insulins; Posterior Pituitary Lobe Hormones; Oxytocin and Analogues; | Used to control postpartum hemorrhage and bleeding after giving birth. |
| FDBD01159 | Iohexol |
|
Contrast Media; X-Ray Contrast Media, Iodinated; Watersoluble, Nephrotropic, Low Osmolar X-Ray Contrast Media; | Iohexol ia used in myelography, arthrography, nephroangiography, arteriography, and other radiographic procedures. |
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
