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 |
|---|---|---|---|---|
| FDBD00449 | Enalapril |
|
Angiotensin-Converting Enzyme Inhibitors; Antihypertensive Agents; Cardiovascular System; Agents Acting on the Renin-Angiotensin System; ACE Inhibitors, Plain; ACE Inhibitors and Diuretics; ACE Inhibitors and Calcium Channel Blockers; CYP3A4 Inhibitors; | For the treatment of essential or renovascular hypertension and symptomatic congestive heart failure. It may be used alone or in combination with thiazide diuretics. |
| FDBD00473 | Chloroquine |
|
Antirheumatic Agents; Antimalarials; Antiprotozoal Agents; Amebicides; Antiparasitic Products, Insecticides and Repellents; Aminoquinolines; Cytochrome P-450 CYP2C8 Inhibitors; Cytochrome P-450 CYP2C8 Inducers; CYP2D6 Inducers; CYP2D6 Inducers (strong); CYP3A4 Inhibitors; | For the suppressive treatment and for acute attacks of malaria due to P. vivax, P.malariae, P. ovale, and susceptible strains of P. falciparum, Second-line agent in treatment of Rheumatoid Arthritis. |
| FDBD00478 | Amodiaquine |
|
Antimalarials; Antiprotozoal Agents; Antiparasitic Products, Insecticides and Repellents; Aminoquinolines; Cytochrome P-450 CYP2C9 Inhibitors; Cytochrome P-450 CYP2C8 Inhibitors; Cytochrome P-450 CYP2C9 Inducers; Cytochrome P-450 CYP2C8 Inducers; CYP2D6 Inducers; CYP2D6 Inducers (strong); | For treatment of acute malarial attacks in non-immune subjects. |
| FDBD00555 | Flurazepam |
|
Anti-Anxiety Agents; Hypnotics and Sedatives; GABA Modulators; Nervous System; Benzodiazepine Derivatives; Psycholeptics; CYP2A6 Inhibitors; CYP2A6 Inhibitors (strong); CYP2A6 Inhibitors (moderate); CYP2A6 Inducers; CYP2A6 Inducers (strong); CYP2E1 Inhibitors; CYP2E1 Inducers; CYP2E1 Inducers (strong); CYP3A4 Inhibitors; | For short-term and intermittent use in patients with recurring insomnia and poor sleeping habits. |
| FDBD00556 | Moexipril |
|
Angiotensin-Converting Enzyme Inhibitors; Cardiovascular System; Agents Acting on the Renin-Angiotensin System; ACE Inhibitors, Plain; ACE Inhibitors and Diuretics; | For the treatment of hypertension. |
| FDBD00570 | Tamsulosin |
|
Adrenergic alpha-1 Receptor Antagonists; Adrenergic alpha-Antagonists; Genito Urinary System and Sex Hormones; Drugs Used in Benign Prostatic Hypertrophy; Urological Agents; CYP2D6 Inducers; CYP2D6 Inducers (strong); CYP3A4 Inhibitors; | Used in the treatment of signs and symptoms of benign prostatic hyperplasia (reduction in urinary obstruction and relief of associated manifestations such as hesitancy, terminal dribbling of urine, interrupted or weak stream..etc.). |
| FDBD00585 | Procaine |
|
Anesthetics, Local; Anesthetics; Ophthalmologicals; Sensory Organs; Nervous System; Cardiovascular System; Local Anesthetics; Agents for Treatment of Hemorrhoids and Anal Fissures for Topical Use; Vasoprotectives; Esters of Aminobenzoic Acid; Antiemetics Antagonists; | Used as a local anesthetic primarily in oral surgery. |
| FDBD00632 | Hydrocortamate |
|
Anti-Inflammatory Agents; Corticosteroids; CYP3A4 Inhibitors; | Used topically as an antiinflammatory in the treatment of steroid-responsive dermatoses. |
| FDBD00652 | Perindopril |
|
Angiotensin-Converting Enzyme Inhibitors; Antihypertensive Agents; Lipid Modifying Agents; Cardiovascular System; Agents Acting on the Renin-Angiotensin System; ACE Inhibitors, Plain; ACE Inhibitors and Diuretics; ACE Inhibitors and Calcium Channel Blockers; | For the treatment of mild to moderate essential hypertension, mild to moderate congestive heart failure, and to reduce the cardiovascular risk of individuals with hypertension or post-myocardial infarction and stable coronary disease. |
| FDBD00666 | Dicyclomine |
|
For the treatment of functional bowel/irritable bowel syndrome |
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
