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 |
|---|---|---|---|---|
| FDBD00006 | Felypressin |
|
Vasoconstrictor Agents; Renal Agents; | For use as an alternative to adrenaline as a localising agent, provided that local ischaemia is not essential. |
| FDBD00034 | Glutathione |
|
Antidotes; Dietary Supplements; Micronutrients; Supplements; | For nutritional supplementation, also for treating dietary shortage or imbalance. |
| FDBD00066 | Valsartan |
|
Antihypertensive Agents; Angiotensin II Type 1 Receptor Blockers; Angiotensin Receptor Antagonists; Lipid Modifying Agents; Cardiovascular System; Angiotensin II Antagonists, Plain; Agents Acting on the Renin-Angiotensin System; Angiotensin II Antagonists and Diuretics; Angiotensin II Antagonists and Calcium Channel Blockers; Cytochrome P-450 CYP2C9 Inhibitors; Cytochrome P-450 CYP2C9 Inducers; Angiotensin II Receptor Antagonists; | May be used as a first line agent to treat uncomplicated hypertension, isolated systolic hypertension and left ventricular hypertrophy. May be used as a first line agent to delay progression of diabetic nephropathy. Losartan may be also used as a second line agent in the treatment of congestive heart failure, systolic dysfunction, myocardial infarction and coronary artery disease in those intolerant of ACE inhibitors. |
| FDBD00077 | Bortezomib |
|
Antineoplastic Agents; 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; CYP2D6 Inducers; CYP2D6 Inducers (strong); CYP3A4 Inhibitors; | For treatment of multiple myeloma in patients who have not been successfully treated with at least two previous therapies. |
| FDBD00100 | Remikiren |
|
Cardiovascular System; Agents Acting on the Renin-Angiotensin System; Renin-Inhibitors; | For the treatment of hypertension and heart failure. |
| FDBD00648 | Marimastat |
|
Enzyme Inhibitors; | For the treatment of various cancers. |
| FDBD00834 | Ramelteon |
|
Hypnotics and Sedatives; Nervous System; Psycholeptics; Melatonin Receptor Agonists; Cytochrome P-450 CYP1A2 Inhibitors; Cytochrome P-450 CYP1A2 Inducers; Cytochrome P-450 CYP2C19 Inducers; CYP3A4 Inhibitors; | For the treatment of insomnia characterized by difficulty with sleep onset. |
| 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. |
| FDBD01392 | Lacosamide |
|
Anticonvulsants; Nervous System; Antiepileptics; | Lacosamide is indicated for adjunctive therapy for partial onset seizures in patients with epilepsy over 17 years old. Injection is indicated for short term use when oral therapy is not feasible. |
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
