Common name
N,N-dimethylmethanamine
IUPAC name
N,N-dimethylmethanamine
SMILES
N(C)(C)C
Common name
N,N-dimethylmethanamine
IUPAC name
N,N-dimethylmethanamine
SMILES
N(C)(C)C
INCHI
InChI=1S/C3H9N/c1-4(2)3/h1-3H3
FORMULA
C3H9N
Common name
N,N-dimethylmethanamine
IUPAC name
N,N-dimethylmethanamine
Molecular weight
59.110
clogP
-0.577
clogS
-0.200
Frequency
0.0371
HBond Acceptor
1
HBond Donor
0
Total PolarSurface Area
3.24
Number of Rings
0
Rotatable Bond
0
| Drug ID | Common name | Structure CAS | Compound class | Therapeutic area |
|---|---|---|---|---|
| FDBD00015 | Choline |
|
Lipotropic Agents; Nootropic Agents; Analgesics; Dietary Supplements; Micronutrients; Supplements; Salicylic Acid and Derivatives; Nervous System; | For nutritional supplementation, also for treating dietary shortage or imbalance. |
| FDBD00082 | Tramadol |
|
Analgesics; Analgesics, Opioid; Narcotics; Nervous System; Opioids; Cytochrome P-450 CYP2B6 Inducers; Cytochrome P-450 CYP2B6 Inhibitors; CYP2B6 Inhibitors (strong); CYP2D6 Inducers; CYP2D6 Inducers (strong); CYP3A4 Inhibitors; | Indicated in the treatment of moderate to severe pain. Consider for those prone to constipation or respiratory depression. Tramadol is used to treat postoperative, dental, cancer, and acute musculosketetal pain and as an adjuvant to NSAID therapy in patients with osteoarthritis. |
| FDBD00090 | Succinylcholine |
|
Neuromuscular Depolarizing Agents; Muscle Relaxants, Skeletal; Musculo-Skeletal System; Muscle Relaxants; Choline Derivatives; Muscle Relaxants, Peripherally Acting Agents; | Used in surgical procedures where a rapid onset and brief duration of muscle relaxation is needed (includes intubation, endoscopies, and ECT). |
| FDBD00092 | Dofetilide |
|
Anti-Arrhythmia Agents; Potassium Channel Blockers; Cardiovascular System; Antiarrhythmics, Class III; Antiarrhythmics, Class I and Iii; Cardiac Therapy; Antiarrythmics, Class I and Iii; CYP3A4 Inhibitors; | For the maintenance of normal sinus rhythm (delay in time to recurrence of atrial fibrillation/atrial flutter [AF/AFl]) in patients with atrial fibrillation/atrial flutter of greater than one week duration who have been converted to normal sinus rhythm. |
| FDBD00103 | Citalopram |
|
Antidepressive Agents, Second-Generation; Serotonin Uptake Inhibitors; Antidepressive Agents; Nervous System; Antidepressants; Psychoanaleptics; Selective Serotonin 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; CYP2B6 Inhibitors (strong); CYP2D6 Inducers; CYP2D6 Inducers (strong); CYP2E1 Inhibitors; CYP2E1 Inducers; CYP2E1 Inducers (strong); CYP3A4 Inhibitors; | For the treatment of depression. Unlabeled indications include: treatment of mild dementia-associated agitation in nonpsychotic patients, smoking cessation, ethanol abuse, obsessive-compulsive disorder (OCD) in children, and diabetic neuropathy. |
| FDBD00117 | Cefotiam |
|
Anti-Bacterial Agents; Cephalosporins; Antibacterials for Systemic Use; Antiinfectives for Systemic Use; Second-Generation Cephalosporins; | For treatment of severe infections caused by susceptible bacteria. |
| FDBD00136 | Cabergoline |
|
Antineoplastic Agents; Antiparkinson Agents; Dopamine Agonists; Genito Urinary System and Sex Hormones; Nervous System; Anti-Parkinson Drugs; Prolactine Inhibitors; Dopaminergic Agents; CYP3A4 Inhibitors; | For the treatment of hyperprolactinemic disorders, either idiopathic or due to prolactinoma (prolactin-secreting adenomas). May also be used to manage symptoms of Parkinsonian Syndrome as monotherapy during initial symptomatic management or as an adjunct to levodopa therapy during advanced stages of disease. |
| FDBD00156 | Ropinirole |
|
Antiparkinson Agents; 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; Alpha2 Agonists; | For the treatment of the signs and symptoms of idiopathic Parkinson's disease. Also used for the treatment of restless legs syndrome. |
| FDBD00172 | Venlafaxine |
|
Antidepressive Agents, Second-Generation; Antidepressive Agents; Nervous System; Antidepressants; Psychoanaleptics; Cytochrome P-450 CYP2C9 Inhibitors; Serotonin and Noradrenaline Reuptake Inhibitors; Cytochrome P-450 CYP2C9 Inducers; Cytochrome P-450 CYP2C19 Inducers; Cytochrome P-450 CYP2B6 Inducers; Cytochrome P-450 CYP2B6 Inhibitors; CYP2B6 Inhibitors (strong); CYP2D6 Inducers; CYP2D6 Inducers (strong); CYP3A4 Inhibitors; Combined Inhibitors of CYP3A4 and P-glycoprotein; | For the management of major depressive disorder (MDD), generalized anxiety disorder (GAD), social anxiety disorder (social phobia), panic disorder with or without agoraphobia, vasomotor symptoms in women with breast cancer and in postmenopausal women, and neuropathic pain. |
| FDBD00201 | Zolmitriptan |
|
Analgesics; Serotonin Antagonists; Serotonin 5-HT1 Receptor Agonists; Serotonin Receptor Agonists; Anti-migraine Agents; Nervous System; Selective Serotonin (5Ht1) Agonists; Antimigraine Preparations; Cytochrome P-450 CYP1A2 Inhibitors; Cytochrome P-450 CYP1A2 Inducers; | For the acute treatment of adult migraine with or without auras. |
108 ,
11
| FRAGNAME | PDBID | SIMILIRITY | XSCORE | SMILE | HAC |
|---|---|---|---|---|---|
| 2reg_ligand_1_1.mol2 | 2reg | 1 | -5.84 | C[N+](C)(C)C | 5 |
| 2rin_ligand_1_0.mol2 | 2rin | 1 | -5.74 | C[N+](C)(C)C | 5 |
| 4bgk_ligand_1_3.mol2 | 4bgk | 1 | -5.64 | [N+](C)(C)(C)C | 5 |
| 4c5w_ligand_1_0.mol2 | 4c5w | 1 | -5.64 | C[N+](C)(C)C | 5 |
| 1sw2_ligand_frag_0.mol2 | 1sw2 | 1 | -5.63 | [NH+](C)(C)C | 4 |
892 ,
90
