Common name
N-ethylethanamine
IUPAC name
N-ethylethanamine
SMILES
N(CC)CC
Common name
N-ethylethanamine
IUPAC name
N-ethylethanamine
SMILES
N(CC)CC
INCHI
InChI=1S/C4H11N/c1-3-5-4-2/h5H,3-4H2,1-2H3
FORMULA
C4H11N
Common name
N-ethylethanamine
IUPAC name
N-ethylethanamine
Molecular weight
73.137
clogP
0.266
clogS
-1.379
Frequency
0.0240
HBond Acceptor
0
HBond Donor
1
Total PolarSurface Area
12.03
Number of Rings
0
Rotatable Bond
2
| Drug ID | Common name | Structure CAS | Compound class | Therapeutic area |
|---|---|---|---|---|
| FDBD01204 | Aprindine |
|
Anti-Arrhythmia Agents; Voltage-Gated Sodium Channel Blockers; Cardiovascular System; Antiarrhythmics, Class I and Iii; Cardiac Therapy; Antiarrythmics, Class I and Iii; Antiarrhythmics, Class Ib; CYP2D6 Inducers; CYP2D6 Inducers (strong); | |
| FDBD01216 | Fenethylline |
|
Nervous System; Psychoanaleptics; Centrally Acting Sympathomimetics; Psychostimulants, Agents Used for Adhd and Nootropics; | |
| 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 . |
| FDBD01266 | Alverine |
|
Parasympatholytics; Antispasmodics; Alimentary Tract and Metabolism; Drugs for Functional Gastrointestinal Disorders; | Used to relieve cramps or spasms of the stomach and intestines. It is also useful in treating irritable bowel syndrome (IBS) and similar conditions. It can also be used to help relieve period pain. Alverine citrate is also under investigation to increase the cytotoxic effects of the proteasome inhibitor MG132 on breast cancer cells. |
| FDBD01281 | Dalfopristin |
|
Anti-Bacterial Agents; Antibacterials for Systemic Use; Antiinfectives for Systemic Use; Macrolides, Lincosamides and Streptogramins; Streptogramins; CYP3A4 Inhibitors; | For the treatment of bacterial infections (usually in combination with quinupristin). |
| FDBD01333 | Dronedarone |
|
Anti-Arrhythmia Agents; Adrenergic alpha-1 Receptor Antagonists; Cardiovascular System; Antiarrhythmics, Class III; Antiarrhythmics, Class I and Iii; Cardiac Therapy; Antiarrythmics, Class I and Iii; CYP2D6 Inducers; CYP2D6 Inducers (strong); CYP3A4 Inhibitors; Combined Inhibitors of CYP3A4 and P-glycoprotein; | Management of paroxysmal or persistent atrial fibrillation via restoration of normal sinus rhythm. |
| FDBD01355 | Lucanthone |
|
Antineoplastic Agents; Schistosomicides; | Intended for use as a radiation sensitizer in the treatment of brain cancer. |
| FDBD01385 | Silodosin |
|
Adrenergic alpha-1 Receptor Antagonists; Adrenergic alpha-Antagonists; Genito Urinary System and Sex Hormones; Drugs Used in Benign Prostatic Hypertrophy; Urological Agents; CYP3A4 Inhibitors; | Treatment for symptomatic relief of benign prostatic hyperplasia . |
| FDBD01445 | Gadofosveset trisodium |
|
Contrast Media; Diagnostic Agents; Paramagnetic Contrast Media; Magnetic Resonance Imaging Contrast Media; | Gadofosveset trisodium is indicated for use as a contrast agent in magnetic resonance angiography (MRA) to evaluate aortoiliac occlusive disease (AIOD) in adults with known or suspected peripheral vascular disease. |
| FDBD01448 | Lumefantrine |
|
Antimalarials; Antiprotozoal Agents; Antiparasitic Products, Insecticides and Repellents; CYP2D6 Inducers; CYP2D6 Inducers (strong); CYP3A4 Inhibitors; | Lumefantrine and artemether combination therapy is indicated for the treatment of acute uncomplicated malaria caused by . |
70 ,
8
| FRAGNAME | PDBID | SIMILIRITY | XSCORE | SMILE | HAC |
|---|---|---|---|---|---|
| 1jqe_ligand_4_125.mol2 | 1jqe | 1 | -6.44 | C(C)[NH+](CC)CC | 7 |
| 2q9y_ligand_4_0.mol2 | 2q9y | 1 | -6.43 | C(C)[N+](C)(CC)CC | 8 |
| 4b7z_ligand_4_31.mol2 | 4b7z | 1 | -6.40 | C(C)[NH+](CC)CC | 7 |
| 4b80_ligand_4_31.mol2 | 4b80 | 1 | -6.36 | [NH+](CC)(CC)CC | 7 |
| 4b82_ligand_4_14.mol2 | 4b82 | 1 | -6.36 | C(C)[NH+](CC)CC | 7 |
| 4b81_ligand_4_31.mol2 | 4b81 | 1 | -6.35 | [NH+](CC)(CC)CC | 7 |
| 4b85_ligand_4_14.mol2 | 4b85 | 1 | -6.33 | C(C)[NH+](CC)CC | 7 |
| 2q9y_ligand_3_6.mol2 | 2q9y | 1 | -6.32 | C(C)[NH+](CC)CC | 7 |
| 4b84_ligand_4_30.mol2 | 4b84 | 1 | -6.32 | C(C)[NH+](CC)CC | 7 |
| 4btl_ligand_4_69.mol2 | 4btl | 1 | -6.31 | [NH+](CC)(CC)CC | 7 |
237 ,
24
