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 |
|---|---|---|---|---|
| FDBD00971 | Ambenonium |
|
Anti-Arrhythmia Agents; Cholinesterase Inhibitors; Parasympathomimetics; Antimyasthenic Agents; Nervous System; Anticholinesterases; | Ambenonium is used to treat muscle weakness due to muscle disease (myasthenia gravis). |
| FDBD00984 | Carvedilol |
|
Antihypertensive Agents; Vasodilator Agents; Adrenergic alpha-1 Receptor Antagonists; Adrenergic beta-Antagonists; Cardiovascular System; Beta Blocking Agents; Alpha and Beta Blocking Agents; Cytochrome P-450 CYP1A2 Inhibitors; Cytochrome P-450 CYP2C9 Inhibitors; Cytochrome P-450 CYP1A2 Inducers; Cytochrome P-450 CYP2C9 Inducers; CYP2D6 Inducers; CYP2D6 Inducers (strong); CYP2E1 Inhibitors; CYP2E1 Inducers; CYP2E1 Inducers (strong); CYP3A4 Inhibitors; | For the treatment of mild or moderate (NYHA class II or III) heart failure of ischemic or cardiomyopathic origin. |
| FDBD00991 | Amifostine |
|
Radiation-Protective Agents; Detoxifying Agents for Antineoplastic Treatment; | For reduction in the cumulative renal toxicity in patients with ovarian cancer (using cisplatin) and moderate to severe xerostomia in patients undergoing post-operative radiation treatment for head and neck cancer. |
| FDBD00999 | Desipramine |
|
Enzyme Inhibitors; Adrenergic Uptake Inhibitors; Antidepressive Agents, Tricyclic; Antidepressive Agents; Nervous System; Antidepressants; Psychoanaleptics; Non-Selective Monoamine Reuptake Inhibitors; Cytochrome P-450 CYP1A2 Inhibitors; Cytochrome P-450 CYP1A2 Inducers; Cytochrome P-450 CYP2C19 Inducers; Cytochrome P-450 CYP2B6 Inducers; Cytochrome P-450 CYP2B6 Inhibitors; CYP2A6 Inhibitors; CYP2A6 Inhibitors (strong); CYP2A6 Inhibitors (moderate); CYP2A6 Inducers; CYP2A6 Inducers (strong); CYP2B6 Inhibitors (strong); CYP2D6 Inducers; CYP2D6 Inducers (strong); CYP2E1 Inhibitors; CYP2E1 Inducers; CYP2E1 Inducers (strong); CYP3A4 Inhibitors; Combined Inhibitors of CYP3A4 and P-glycoprotein; | For relief of symptoms in various depressive syndromes, especially endogenous depression. It has also been used to manage chronic peripheral neuropathic pain, as a second line agent for the management of anxiety disorders (e.g. panic disorder, generalized anxiety disorder), and as a second or third line agent in the ADHD management. |
| FDBD01008 | Chloroprocaine |
|
Anesthetics, Local; Anesthetics; Nervous System; Esters of Aminobenzoic Acid; Antiemetics Antagonists; | For the production of local anesthesia by infiltration and peripheral nerve block. They are not to be used for lumbar or caudal epidural anesthesia. |
| FDBD01050 | Mitoxantrone |
|
Antineoplastic Agents; Immunosuppressive Agents; Analgesics; Topoisomerase II Inhibitors; Antineoplastic and Immunomodulating Agents; Cytotoxic Antibiotics and Related Substances; Anthracyclines and Related Substances; CYP2E1 Inhibitors; CYP2E1 Inducers; CYP2E1 Inducers (strong); CYP3A4 Inhibitors; Combined Inhibitors of CYP3A4 and P-glycoprotein; | For the treatment of secondary (chronic) progressive, progressive relapsing, or worsening relapsing-remitting multiple sclerosis. |
| FDBD01064 | Halofantrine |
|
Antimalarials; Antiprotozoal Agents; Antiparasitic Products, Insecticides and Repellents; Cytochrome P-450 CYP2C8 Inhibitors; Cytochrome P-450 CYP2C8 Inducers; CYP2D6 Inducers; CYP2D6 Inducers (strong); CYP3A4 Inhibitors; | For treatment of Severe malaria. |
| FDBD01077 | Metoclopramide |
|
Antiemetics; Dopamine Antagonists; Prokinetic Agents; Alimentary Tract and Metabolism; Drugs for Functional Gastrointestinal Disorders; Propulsives; Dopamine D2 Receptor Antagonists; CYP2D6 Inducers; CYP2D6 Inducers (strong); | For the treatment of gastroesophageal reflux disease (GERD). It is also used in treating nausea and vomiting, and to increase gastric emptying. |
| FDBD01088 | Bepridil |
|
Antihypertensive Agents; Anti-Arrhythmia Agents; Vasodilator Agents; Calcium Channel Blockers; Cardiovascular System; Phenylalkylamine Derivatives; Non-Selective Calcium Channel Blockers; CYP2D6 Inducers; CYP2D6 Inducers (strong); | For the treatment of hypertension, and chronic stable angina (classic effort-associated angina). |
| FDBD01101 | Lapatinib |
|
Antineoplastic Agents; Protein Kinase Inhibitors; Antineoplastic and Immunomodulating Agents; Cytochrome P-450 CYP2C8 Inhibitors; Cytochrome P-450 CYP2C19 Inducers; Cytochrome P-450 CYP2C8 Inducers; CYP3A4 Inhibitors; Combined Inhibitors of CYP3A4 and P-glycoprotein; | Indicated in combination with capecitabine for the treatment of patients with advanced or metastatic breast cancer whose tumors overexpress the human epidermal receptor type 2 (HER2) protein and who have received prior therapy including an anthracycline, a taxane, and trastuzuma. |
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
