Common name
N-methylpropanamide
IUPAC name
N-methylpropanamide
SMILES
N(C(=O)CC)C
Common name
N-methylpropanamide
IUPAC name
N-methylpropanamide
SMILES
N(C(=O)CC)C
INCHI
InChI=1S/C4H9NO/c1-3-4(6)5-2/h3H2,1-2H3,(H,5,6)
FORMULA
C4H9NO
Common name
N-methylpropanamide
IUPAC name
N-methylpropanamide
Molecular weight
87.120
clogP
-0.038
clogS
-0.956
Frequency
0.0069
HBond Acceptor
1
HBond Donor
1
Total PolarSurface Area
29.1
Number of Rings
0
Rotatable Bond
1
| Drug ID | Common name | Structure CAS | Compound class | Therapeutic area |
|---|---|---|---|---|
| FDBD01475 | Capsaicin |
|
Anesthetics, Local; Antipruritics; Anesthetics; Sensory System Agents; Musculo-Skeletal System; Nervous System; Topical Products for Joint and Muscular Pain; Capsaicin and Similar Agents; Cytochrome P-450 CYP1A2 Inhibitors; Cytochrome P-450 CYP1A2 Inducers; CYP2E1 Inhibitors; CYP2E1 Inducers; CYP2E1 Inducers (strong); CYP3A4 Inhibitors; | The capsaicin 8% patch is indicated in the treatment of neuropathic pain associated with post-herpetic neuralgia. There are multiple topical capsaicin formulations available, including creams and solutions, indicated for temporary analgesia in muscle and join pain as well as neuropathic pain. |
| FDBD01539 | Tauroursodeoxycholic acid |
|
Antiviral Agents; Cholagogues and Choleretics; Cholesterol Absorption Inhibitors; | Used in the treatment of cholesterol gallstones. Tauroursodeoxycholic acid is also being investigated for use in several conditions such as Primary Biliary Cirrhosis (PBC), insulin resistance, amyloidosis, Cystic Fibrosis, Cholestasis, and Amyotrophic Lateral Sclerosis. |
| FDBD01633 | Aliskiren |
|
Cardiovascular System; Agents Acting on the Renin-Angiotensin System; Renin-Inhibitors; CYP3A4 Inhibitors; | For the treatment of hypertension, to lower blood pressure. |
| FDBD01640 | Eliglustat |
|
Enzyme Inhibitors; Alimentary Tract and Metabolism; Various Alimentary Tract and Metabolism Products; CYP2D6 Inducers; CYP2D6 Inducers (strong); CYP3A4 Inhibitors; | Eliglustat is indicated for the long-term treatment of type 1 Gaucher disease in patients who are CYP2D6 extensive metabolizers (EMs), intermediate metabolizers (IMs), or poor metabolizers (PMs) in treatment-naive and treatment-experienced adult patients. |
| 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. |
| FDBD01656 | Tasimelteon |
|
Hypnotics and Sedatives; Nervous System; Psycholeptics; Melatonin Receptor Agonists; | Tasimelteon is indicated for the treatment of Non-24-Hour Sleep-Wake Disorder (N24HSWD). |
| FDBD01692 | Zucapsaicin |
|
Musculo-Skeletal System; Topical Products for Joint and Muscular Pain; Capsaicin and Similar Agents; | |
| FDBD02118 | vamidothion |
|
Insecticide | Insecticide |
| FDBD02381 | tiafenacil |
|
Herbicide | Herbicide |
| FDBD02395 | metamifop |
|
Herbicide | Herbicide |
20 ,
3
| FRAGNAME | PDBID | SIMILIRITY | XSCORE | SMILE | HAC |
|---|---|---|---|---|---|
| 4jt8_ligand_2_0.mol2 | 4jt8 | 1 | -6.38 | CNC(=O)C(C)(C)C | 8 |
| 4r5v_ligand_2_0.mol2 | 4r5v | 1 | -6.31 | CNC(=O)C(C)(C)C | 8 |
| 3m6p_ligand_4_123.mol2 | 3m6p | 1 | -6.28 | CNC(=O)C(C)C | 7 |
| 3dv1_ligand_3_25.mol2 | 3dv1 | 1 | -6.26 | C(=O)(NC)C(C)C | 7 |
| 3m6r_ligand_4_123.mol2 | 3m6r | 1 | -6.25 | CC(C)C(=O)NC | 7 |
| 3m6q_ligand_4_123.mol2 | 3m6q | 1 | -6.24 | CNC(=O)C(C)C | 7 |
| 2f3e_ligand_3_164.mol2 | 2f3e | 1 | -6.23 | CC(C)C(=O)NC | 7 |
941 ,
95
