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
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 PolarSurface Area
3.24
Number of Rings
0
Rotatable Bond
1
| Drug ID | Common name | Structure CAS | Compound class | Therapeutic area |
|---|---|---|---|---|
| FDBD00697 | Brompheniramine |
|
Anti-Allergic Agents; Histamine H1 Antagonists; Respiratory System; Antihistamines for Systemic Use; Substituted Alkylamines; Cytochrome P-450 CYP2C9 Inhibitors; 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; CYP2B6 Inhibitors (strong); CYP2D6 Inducers; CYP2D6 Inducers (strong); CYP2E1 Inhibitors; CYP2E1 Inducers; CYP2E1 Inducers (strong); CYP3A4 Inhibitors; | For the treatment of the symptoms of the common cold and allergic rhinitis, such as runny nose, itchy eyes, watery eyes, and sneezing. |
| FDBD00725 | Benzphetamine |
|
Adrenergic Agents; Adrenergic Uptake Inhibitors; Central Nervous System Stimulants; Dopamine Agents; Dopamine Uptake Inhibitors; Sympathomimetics; Cytochrome P-450 CYP2B6 Inducers; Cytochrome P-450 CYP2B6 Inhibitors; CYP2B6 Inhibitors (strong); CYP3A4 Inhibitors; Alpha2 Agonists; | For the management of exogenous obesity as a short term adjunct (a few weeks) in a regimen of weight reduction based on caloric restriction. |
| FDBD00775 | Almotriptan |
|
Analgesics; Serotonin Antagonists; Serotonin Receptor Agonists; Anti-migraine Agents; Nervous System; Selective Serotonin (5Ht1) Agonists; Antimigraine Preparations; Cytochrome P-450 CYP1A2 Inhibitors; Cytochrome P-450 CYP1A2 Inducers; Cytochrome P-450 CYP2C8 Inhibitors; Cytochrome P-450 CYP2C19 Inducers; Cytochrome P-450 CYP2C8 Inducers; CYP2D6 Inducers; CYP2D6 Inducers (strong); CYP2E1 Inhibitors; CYP2E1 Inducers; CYP2E1 Inducers (strong); CYP3A4 Inhibitors; | For the treatment of acute migraine headache in adults. |
| FDBD00781 | Cyclobenzaprine |
|
Antidepressive Agents, Tricyclic; Muscle Relaxants, Central; Tranquilizing Agents; Neuromuscular Agents; Muscle Relaxants, Skeletal; Musculo-Skeletal System; Muscle Relaxants, Centrally Acting Agents; Muscle Relaxants; Cytochrome P-450 CYP1A2 Inhibitors; Cytochrome P-450 CYP1A2 Inducers; CYP2D6 Inducers; CYP2D6 Inducers (strong); CYP3A4 Inhibitors; | For use as an adjunct to rest and physical therapy for relief of muscle spasm associated with acute, painful musculoskeletal conditions. |
| FDBD00782 | Phenoxybenzamine |
|
Antihypertensive Agents; Vasodilator Agents; Adrenergic alpha-1 Receptor Antagonists; Adrenergic alpha-Antagonists; Cardiovascular System; Peripheral Vasodilators; CYP3A4 Inhibitors; | For the treatment of phaeochromocytoma (malignant), benign prostatic hypertrophy and malignant essential hypertension. |
| FDBD00795 | Methantheline |
|
Muscarinic Antagonists; Cholinergic Antagonists; Antispasmodics; Alimentary Tract and Metabolism; Drugs for Functional Gastrointestinal Disorders; Synthetic Anticholinergics, Quaternary Ammonium Compounds; H2 Antagonists; | For the treatment of peptic ulcer disease, irritable bowel syndrome, pancreatitis, gastritis, biliary dyskinesia, pylorosplasm, and reflex neurogenic bladder in children. |
| FDBD00796 | Hexafluronium |
|
Neuromuscular Agents; Musculo-Skeletal System; Muscle Relaxants; Muscle Relaxants, Peripherally Acting Agents; | Used as an adjunct with succinylcholine (or suxamethonium chloride) to prolong muscle relaxation and to prevent succinylcholine-induced muscle fasciculations. |
| FDBD00808 | Rizatriptan |
|
Analgesics; Serotonin Antagonists; 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 treatment of acute migraine attacks with or without aura. |
| FDBD00839 | Dimenhydrinate |
|
Histamine H1 Antagonists; Antiemetics; | Used for treating vertigo, motion sickness, and nausea associated with pregnancy. |
| FDBD00843 | Rivastigmine |
|
Neuroprotective Agents; Cholinesterase Inhibitors; Cholinergic Agents; Nervous System; Psychoanaleptics; Anticholinesterases; Anti-Dementia Drugs; CYP2D6 Inducers; CYP2D6 Inducers (strong); CYP3A4 Inhibitors; | For the treatment of mild to moderate dementia associated with Parkinson's disease or of the Alzheimer's type. |
87 ,
9
| FRAGNAME | PDBID | SIMILIRITY | XSCORE | SMILE | HAC |
|---|---|---|---|---|---|
| 4mm7_ligand_2_4.mol2 | 4mm7 | 1 | -5.71 | CC[NH+](C)C | 5 |
| 1gsz_ligand_3_216.mol2 | 1gsz | 1 | -5.70 | CC[NH+](C)C | 5 |
| 2bok_ligand_2_7.mol2 | 2bok | 1 | -5.70 | [N+](C)(C)(C)CC | 6 |
| 2ha6_ligand_2_20.mol2 | 2ha6 | 1 | -5.70 | [N+](C)(C)(C)CC | 6 |
| 2rcu_ligand_2_18.mol2 | 2rcu | 1 | -5.70 | CC[N+](C)(C)C | 6 |
| 3feg_ligand_2_30.mol2 | 3feg | 1 | -5.70 | CC[NH+](C)C | 5 |
| 1h3c_ligand_3_45.mol2 | 1h3c | 1 | -5.69 | CC[NH+](C)C | 5 |
| 1w6j_ligand_3_216.mol2 | 1w6j | 1 | -5.69 | CC[NH+](C)C | 5 |
577 ,
58
