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 |
|---|---|---|---|---|
| FDBD01627 | Butriptyline |
|
Nervous System; Antidepressants; Psychoanaleptics; Non-Selective Monoamine Reuptake Inhibitors; | |
| FDBD01637 | Miltefosine |
|
Antineoplastic Agents; Antineoplastic and Immunomodulating Agents; | For the treatment of mucosal (caused by Leishmania braziliensis), cutaneous (caused by L. braziliensis, L. guyanensis, and L. panamensis), and visceral leishmaniasis (caused by L. donovani). In comparing Leishmania drug susceptibility, it has been found that L. donovani is the most susceptible to miltefosine while L. major is the least susceptible. Off-label use includes treatment of free-living amebae (FLA) infections (unlabeled use; CDC, 2013). |
| FDBD01666 | Ivabradine |
|
Cardiovascular Agents; Cardiovascular System; Cardiac Therapy; CYP3A4 Inhibitors; | Ivabradine's indication by the FDA is to reduce the risk of hospitalization for worsening heart failure in patients with stable, symptomatic chronic heart failure with left ventricular ejection fraction |
| FDBD01667 | Benzydamine |
|
Anti-Inflammatory Agents; Genito Urinary System and Sex Hormones; Alimentary Tract and Metabolism; Musculo-Skeletal System; Stomatological Preparations; Antiinflammatory and Antirheumatic Products, Non-Steroids; Antiinflammatory and Antirheumatic Products; Antiinflammatory Preparations, Non-Steroids for Topical Use; Topical Products for Joint and Muscular Pain; Antiinflammatory Products for Vaginal Administration; | |
| FDBD01668 | Tetracaine |
|
Anesthetics, Local; Anesthetics; Ophthalmologicals; Sensory Organs; Dermatologicals; Nervous System; Cardiovascular System; Local Anesthetics; Agents for Treatment of Hemorrhoids and Anal Fissures for Topical Use; Vasoprotectives; Anesthetics for Topical Use; Antipruritics, Incl. Antihistamines, Anesthetics, Etc.; Esters of Aminobenzoic Acid; | |
| FDBD01671 | Trimebutine |
|
Gastrointestinal Agents; Parasympatholytics; Alimentary Tract and Metabolism; Drugs for Functional Gastrointestinal Disorders; Synthetic Anticholinergics, Esters With Tertiary Amino Group; | |
| FDBD01674 | Xanthinol |
|
Vasodilator Agents; | |
| FDBD01686 | Colfosceril palmitate |
|
Respiratory System; Lung Surfactants; | |
| FDBD01730 | Dosulepin |
|
Adrenergic Uptake Inhibitors; Antidepressive Agents, Tricyclic; Nervous System; Antidepressants; Psychoanaleptics; Non-Selective Monoamine Reuptake Inhibitors; | |
| FDBD01738 | Moxisylyte |
|
Sympatholytics; Vasodilator Agents; Adrenergic alpha-Antagonists; Miotics; Genito Urinary System and Sex Hormones; Cardiovascular System; Drugs Used in Erectile Dysfunction; Peripheral Vasodilators; Urological Agents; | For the treatment of erectile dysfunction. |
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
