Responsive image

Common name

N,N-dimethylethanamine

IUPAC name

N,N-dimethylethanamine

SMILES

C(C)N(C)C

Common name

N,N-dimethylethanamine

IUPAC name

N,N-dimethylethanamine

SMILES

C(C)N(C)C

INCHI

InChI=1S/C4H11N/c1-4-5(2)3/h4H2,1-3H3

FORMULA

C4H11N

Responsive image

Common name

N,N-dimethylethanamine

IUPAC name

N,N-dimethylethanamine





Molecular weight

73.137

clogP

-0.179

clogS

-0.646

Frequency

0.0299





HBond Acceptor

1

HBond Donor

0

Total Polar
Surface Area

3.24

Number of Rings

0

Rotatable Bond

1

Drug ID Common name Structure CAS Compound class Therapeutic area
FDBD00864 Edrophonium Responsive image Cholinesterase Inhibitors; Antidotes; For the differential diagnosis of myasthenia gravis and as an adjunct in the evaluation of treatment requirements in this disease. It may also be used for evaluating emergency treatment in myasthenic crises.
FDBD00890 Selegiline Responsive image Antiparkinson Agents; Neuroprotective Agents; Monoamine Oxidase Inhibitors; Antidyskinetics; Dopaminergics; Nervous System; Antidepressants; Psychoanaleptics; Anti-Parkinson Drugs; Dopaminergic Agents; Monoamine Oxidase B Inhibitors; 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; 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; Monotherapy for initial treatment of Parkinson's disease, as well as an adjunct therapy in patients with a decreased response to levodopa/carbadopa. Also used for the palliative treatment of mild to moderate Alzheimer's disease and at higher doses, for the treatment of depression.
FDBD00920 Promethazine Responsive image Anti-Allergic Agents; Antipruritics; Histamine H1 Antagonists; Antidotes; Respiratory System; Dermatologicals; Antipruritics, Incl. Antihistamines, Anesthetics, Etc.; Antihistamines for Topical Use; Antihistamines for Systemic Use; Phenothiazine Derivatives; Cytochrome P-450 CYP2C9 Inhibitors; Cytochrome P-450 CYP2C9 Inducers; Cytochrome P-450 CYP2B6 Inducers; Cytochrome P-450 CYP2B6 Inhibitors; CYP2B6 Inhibitors (strong); CYP2D6 Inducers; CYP2D6 Inducers (strong); For the treatment of allergic disorders, and nausea/vomiting.
FDBD00926 Diphenhydramine Responsive image Anti-Allergic Agents; Hypnotics and Sedatives; Anesthetics, Local; Histamine H1 Antagonists; Antitussive Agents; Antiemetics; Antidyskinetics; Respiratory System; Dermatologicals; Antipruritics, Incl. Antihistamines, Anesthetics, Etc.; Antihistamines for Topical Use; Aminoalkyl Ethers; Antihistamines for Systemic Use; Cytochrome P-450 CYP1A2 Inhibitors; Cytochrome P-450 CYP2C9 Inhibitors; Cytochrome P-450 CYP1A2 Inducers; Cytochrome P-450 CYP2C9 Inducers; Cytochrome P-450 CYP2C19 Inducers; Cytochrome P-450 CYP2B6 Inducers; Sleep Aids, Pharmaceutical; Cytochrome P-450 CYP2B6 Inhibitors; CYP2B6 Inhibitors (strong); CYP2D6 Inducers; CYP2D6 Inducers (strong);
FDBD00955 Sibutramine Responsive image Appetite Depressants; Antidepressive Agents; Stimulants; Alimentary Tract and Metabolism; Centrally Acting Antiobesity Products; Antiobesity Preparations, Excl. Diet Products; CYP3A4 Inhibitors; For the treatment of obesity.
FDBD00963 Chlorphenamine Responsive image Anti-Allergic Agents; Antipruritics; Histamine H1 Antagonists; Histamine Antagonists; Respiratory System; Antihistamines for Systemic Use; Substituted Alkylamines; CYP2D6 Inducers; CYP2D6 Inducers (strong); CYP3A4 Inhibitors; For the treatment of rhinitis, urticaria, allergy, common cold, asthma and hay fever.
FDBD00971 Ambenonium Responsive image Anti-Arrhythmia Agents; Cholinesterase Inhibitors; Parasympathomimetics; Antimyasthenic Agents; Nervous System; Anticholinesterases; Ambenonium is used to treat muscle weakness due to muscle disease (myasthenia gravis).
FDBD00990 Doxepin Responsive image Adrenergic Uptake Inhibitors; Antidepressive Agents, Tricyclic; Adrenergic alpha-1 Receptor Antagonists; Histamine Antagonists; Antidepressive Agents; Nervous System; Antidepressants; Psychoanaleptics; Non-Selective Monoamine Reuptake Inhibitors; Cytochrome P-450 CYP1A2 Inhibitors; Cytochrome P-450 CYP2C9 Inhibitors; Cytochrome P-450 CYP1A2 Inducers; Cytochrome P-450 CYP2C9 Inducers; Cytochrome P-450 CYP2C19 Inducers; Sleep Aids, Pharmaceutical; CYP2D6 Inducers; CYP2D6 Inducers (strong); CYP3A4 Inhibitors; H2 Antagonists; Doxepin is used for the treatment of depression and/or anxiety. It can also be used for chronic urticaria and in the management of pain.
FDBD01005 Bretylium Responsive image Antihypertensive Agents; Anti-Arrhythmia Agents; Adrenergic Antagonists; For use in the prophylaxis and therapy of ventricular fibrillation. Also used in the treatment of life-threatening ventricular arrhythmias, such as ventricular tachycardia, that have failed to respond to adequate doses of a first-line antiarrhythmic agent, such as lidocaine.
FDBD01019 Orphenadrine Responsive image Antiparkinson Agents; Muscarinic Antagonists; Parasympatholytics; Muscle Relaxants, Central; Antidyskinetics; Muscle Relaxants, Skeletal; Musculo-Skeletal System; Nervous System; Muscle Relaxants, Centrally Acting Agents; Muscle Relaxants; Anti-Parkinson Drugs; Anticholinergics; Ethers Chemically Close to Antihistamines; Cytochrome P-450 CYP2B6 Inducers; Cytochrome P-450 CYP2B6 Inhibitors; CYP2B6 Inhibitors (strong); CYP2E1 Inhibitors; CYP2E1 Inducers; CYP2E1 Inducers (strong); CYP3A4 Inhibitors; Indicated for the treatment of Parkinson's disease.
87 , 9
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