Common name
N-methylethanamine
IUPAC name
N-methylethanamine
SMILES
N(CC)C
Common name
N-methylethanamine
IUPAC name
N-methylethanamine
SMILES
N(CC)C
INCHI
InChI=1S/C3H9N/c1-3-4-2/h4H,3H2,1-2H3
FORMULA
C3H9N
Common name
N-methylethanamine
IUPAC name
N-methylethanamine
Molecular weight
59.110
clogP
-0.133
clogS
-0.933
Frequency
0.0429
HBond Acceptor
0
HBond Donor
1
Total PolarSurface Area
12.03
Number of Rings
0
Rotatable Bond
1
| Drug ID | Common name | Structure CAS | Compound class | Therapeutic area |
|---|---|---|---|---|
| FDBD01230 | Methamphetamine |
|
Adrenergic Agents; Adrenergic Uptake Inhibitors; Central Nervous System Stimulants; Dopamine Agents; Dopamine Uptake Inhibitors; Sympathomimetics; CYP2D6 Inducers; CYP2D6 Inducers (strong); Alpha2 Agonists; | For the treatment of Attention Deficit Disorder with Hyperactivity (ADHD) and exogenous obesity. |
| FDBD01261 | Hydroxychloroquine |
|
Antirheumatic Agents; Enzyme Inhibitors; Antimalarials; Antiprotozoal Agents; Antiparasitic Products, Insecticides and Repellents; Aminoquinolines; CYP2D6 Inducers; CYP2D6 Inducers (strong); | For the suppressive treatment and treatment of acute attacks of malaria due to . |
| FDBD01266 | Alverine |
|
Parasympatholytics; Antispasmodics; Alimentary Tract and Metabolism; Drugs for Functional Gastrointestinal Disorders; | Used to relieve cramps or spasms of the stomach and intestines. It is also useful in treating irritable bowel syndrome (IBS) and similar conditions. It can also be used to help relieve period pain. Alverine citrate is also under investigation to increase the cytotoxic effects of the proteasome inhibitor MG132 on breast cancer cells. |
| FDBD01274 | Isopropamide |
|
Alimentary Tract and Metabolism; Drugs for Functional Gastrointestinal Disorders; Synthetic Anticholinergics, Quaternary Ammonium Compounds; | For the treatment of a wide range of gastrointestinal disorders, including such conditions as peptic ulcer, gastritis, hyperchlorhydria, functional diarrhea, irritable or spastic colon, pyloroduodenal irritability, pylorospasm, acute nonspecific gastroenteritis, biliary dyskinesia and chronic cholelithiasis, duodenitis, gastrointestinal spasm; it may also be used to treat genitourinary spasm. |
| FDBD01281 | Dalfopristin |
|
Anti-Bacterial Agents; Antibacterials for Systemic Use; Antiinfectives for Systemic Use; Macrolides, Lincosamides and Streptogramins; Streptogramins; CYP3A4 Inhibitors; | For the treatment of bacterial infections (usually in combination with quinupristin). |
| FDBD01333 | Dronedarone |
|
Anti-Arrhythmia Agents; Adrenergic alpha-1 Receptor Antagonists; Cardiovascular System; Antiarrhythmics, Class III; Antiarrhythmics, Class I and Iii; Cardiac Therapy; Antiarrythmics, Class I and Iii; CYP2D6 Inducers; CYP2D6 Inducers (strong); CYP3A4 Inhibitors; Combined Inhibitors of CYP3A4 and P-glycoprotein; | Management of paroxysmal or persistent atrial fibrillation via restoration of normal sinus rhythm. |
| FDBD01347 | Oritavancin |
|
Anti-Bacterial Agents; Antibacterials for Systemic Use; Antiinfectives for Systemic Use; Glycopeptide Antibacterials; | Investigated for use/treatment in bacterial infection and skin infections/disorders. |
| FDBD01355 | Lucanthone |
|
Antineoplastic Agents; Schistosomicides; | Intended for use as a radiation sensitizer in the treatment of brain cancer. |
| FDBD01366 | Rotigotine |
|
Dopamine Agonists; Antidyskinetics; Nervous System; Anti-Parkinson Drugs; Dopaminergic Agents; Cytochrome P-450 CYP1A2 Inhibitors; Cytochrome P-450 CYP1A2 Inducers; CYP2D6 Inducers; CYP2D6 Inducers (strong); CYP3A4 Inhibitors; | For use/treatment in neurologic disorders and parkinson's disease as well as moderate-to-severe primary Restless Legs Syndrome. |
| FDBD01385 | Silodosin |
|
Adrenergic alpha-1 Receptor Antagonists; Adrenergic alpha-Antagonists; Genito Urinary System and Sex Hormones; Drugs Used in Benign Prostatic Hypertrophy; Urological Agents; CYP3A4 Inhibitors; | Treatment for symptomatic relief of benign prostatic hyperplasia . |
125 ,
13
| FRAGNAME | PDBID | SIMILIRITY | XSCORE | SMILE | HAC |
|---|---|---|---|---|---|
| 4bgk_ligand_2_5.mol2 | 4bgk | 1 | -6.10 | [N+](C)(C)(C)CC | 6 |
| 4bhf_ligand_1_0.mol2 | 4bhf | 1 | -6.10 | [N+](C)(C)(C)CC | 6 |
| 1uv6_ligand_2_0.mol2 | 1uv6 | 1 | -6.07 | CC[N+](C)(C)C | 6 |
| 4c5w_ligand_2_1.mol2 | 4c5w | 1 | -6.03 | CC[N+](C)(C)C | 6 |
| 4bgm_ligand_3_6.mol2 | 4bgm | 1 | -6.00 | [N+](C)(C)(CC)C | 6 |
| 3feg_ligand_3_74.mol2 | 3feg | 1 | -5.96 | CC[N+](C)(C)C | 6 |
| 2ha0_ligand_2_0.mol2 | 2ha0 | 1 | -5.89 | C([N+](C)(C)C)C | 6 |
577 ,
58
