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 |
|---|---|---|---|---|
| FDBD01021 | Escitalopram |
|
Antidepressive Agents, Second-Generation; Serotonin Uptake Inhibitors; Adrenergic alpha-1 Receptor Antagonists; Nervous System; Antidepressants; Psychoanaleptics; Selective Serotonin Reuptake Inhibitors; Cytochrome P-450 CYP2C19 Inducers; CYP2D6 Inducers; CYP2D6 Inducers (strong); CYP3A4 Inhibitors; | Labeled indications include major depressive disorder (MDD) and generalized anxiety disorder (GAD). Unlabeled indications include treatment of mild dementia-associated agitation in nonpsychotic patients. |
| 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. |
| FDBD01072 | Levomethadyl Acetate |
|
Analgesics, Opioid; Narcotics; Nervous System; Drugs Used in Addictive Disorders; Drugs Used in Opioid Dependence; CYP3A4 Inhibitors; | For the treatment and management of opiate dependence. It is sometimes used to treat severe pain in terminal patients. |
| FDBD01081 | Bromodiphenhydramine |
|
Histamine Antagonists; Respiratory System; Aminoalkyl Ethers; Antihistamines for Systemic Use; | For management of symptoms related to hay fever and other types of allergy and used to help bring up phlegm, thin secretions, and make a cough productive. |
| FDBD01083 | Chlorprothixene |
|
Antipsychotic Agents; Dopamine Antagonists; Nervous System; Psycholeptics; Thioxanthene Derivatives; | For treatment of psychotic disorders (e.g. schizophrenia) and of acute mania occuring as part of bipolar disorders. |
| FDBD01086 | Clomipramine |
|
May be used to treat obsessive-compulsive disorder and disorders with an obsessive-compulsive component (e.g. depression, schizophrenia, Tourette's disorder). | |
| FDBD01207 | Methadyl Acetate |
|
Analgesics, Opioid; Narcotics; | Used mainly in the treatment of narcotic dependence. |
| FDBD01261 | Hydroxychloroquine |
|
Antirheumatic Agents; Enzyme Inhibitors; Antimalarials; Antiprotozoal Agents; Antiparasitic Products, Insecticides and Repellents; Aminoquinolines; CYP2D6 Inducers; CYP2D6 Inducers (strong); | For the suppressive treatment and treatment of acute attacks of malaria due to . |
| FDBD01264 | Acepromazine |
|
Hypnotics and Sedatives; Antipsychotic Agents; Adrenergic alpha-1 Receptor Antagonists; Dopamine Antagonists; Nervous System; Psycholeptics; Phenothiazines With Aliphatic Side-Chain; | Acepromazine was first used in humans in the 1950s as an antipsychotic agent. It is now rarely used in humans. Acepromazine is frequently used in animals as a sedative and antiemetic. Its principal value is in quietening and calming anxious animals. |
| FDBD01265 | Aceprometazine |
|
Hypnotics and Sedatives; Histamine Antagonists; | Aceprometazine is often used in combination with meprobamate for the treatment of sleep disorders. |
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
