Common name
N-ethylpropan-1-amine
IUPAC name
N-ethylpropan-1-amine
SMILES
N(CCC)CC
Common name
N-ethylpropan-1-amine
IUPAC name
N-ethylpropan-1-amine
SMILES
N(CCC)CC
INCHI
InChI=1S/C5H13N/c1-3-5-6-4-2/h6H,3-5H2,1-2H3
FORMULA
C5H13N
Common name
N-ethylpropan-1-amine
IUPAC name
N-ethylpropan-1-amine
Molecular weight
87.163
clogP
0.682
clogS
-1.817
Frequency
0.0086
HBond Acceptor
0
HBond Donor
1
Total PolarSurface Area
12.03
Number of Rings
0
Rotatable Bond
3
| Drug ID | Common name | Structure CAS | Compound class | Therapeutic area |
|---|---|---|---|---|
| FDBD00741 | Quinapril |
|
Angiotensin-Converting Enzyme Inhibitors; Antihypertensive Agents; Cardiovascular System; Agents Acting on the Renin-Angiotensin System; ACE Inhibitors, Plain; ACE Inhibitors and Diuretics; | For the treatment of hypertension and as adjunct therapy in the treatment of congestive heart failure. May also be used to slow the rate of progression of renal disease in hypertensive individuals with diabetes mellitus and microalbuminuria or overt nephropathy. |
| FDBD00866 | Cinacalcet |
|
Systemic Hormonal Preparations, Excl. Sex Hormones and Insulins; Anti-Parathyroid Agents; Calcium Homeostasis; Cytochrome P-450 CYP1A2 Inhibitors; Cytochrome P-450 CYP1A2 Inducers; Calcimimetic Agents; CYP2D6 Inducers; CYP2D6 Inducers (strong); CYP3A4 Inhibitors; | For the treatment of secondary hyperparathyroidism in patients with Chronic Kidney Disease who are on hemodialysis or peritoneal dialysis. Also for the treatment of hypercalcemia in patients with parathyroid carcinoma. |
| FDBD00953 | Quinacrine |
|
Antineoplastic Agents; Enzyme Inhibitors; Antimalarials; Antiprotozoal Agents; Antinematodal Agents; Anthelmintics; Anticestodal Agents; Antiparasitic Products, Insecticides and Repellents; Agents Against Protozoal Diseases; CYP3A4 Inhibitors; | For the treatment of giardiasis and cutaneous leishmaniasis and the management of malignant effusions. |
| FDBD01148 | Spirapril |
|
Cardiovascular System; Agents Acting on the Renin-Angiotensin System; ACE Inhibitors, Plain; | Spirapril is an ACE inhibitor class drug used to treat hypertension. |
| 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); | |
| 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. |
| 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. |
| FDBD01366 | Rotigotine |
|
Dopamine Agonists; Antidyskinetics; Nervous System; Anti-Parkinson Drugs; Dopaminergic Agents; Cytochrome P-450 CYP1A2 Inhibitors; Cytochrome P-450 CYP1A2 Inducers; CYP2D6 Inducers; CYP2D6 Inducers (strong); CYP3A4 Inhibitors; | For use/treatment in neurologic disorders and parkinson's disease as well as moderate-to-severe primary Restless Legs Syndrome. |
| 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. |
25 ,
3
| FRAGNAME | PDBID | SIMILIRITY | XSCORE | SMILE | HAC |
|---|---|---|---|---|---|
| 4fmu_ligand_4_55.mol2 | 4fmu | 1 | -6.92 | C([NH2+]CCC)(C)C | 7 |
| 1pot_ligand_4_10.mol2 | 1pot | 1 | -6.61 | C(C[NH2+]CC)C | 6 |
| 4fmu_ligand_3_40.mol2 | 4fmu | 1 | -6.54 | C([NH2+]CCC)C | 6 |
| 4fmu_ligand_3_46.mol2 | 4fmu | 1 | -6.50 | C([NH2+]CCC)C | 6 |
| 3acx_ligand_3_37.mol2 | 3acx | 1 | -6.26 | C(C)(C)[NH2+]CCC | 7 |
| 4eki_ligand_5_231.mol2 | 4eki | 1 | -6.18 | C(C)C[N@H+](C)C(C)C | 8 |
| 4eki_ligand_4_175.mol2 | 4eki | 1 | -6.17 | C(C)C[NH2+]C(C)C | 7 |
| 2f94_ligand_5_50.mol2 | 2f94 | 1 | -6.12 | C(C)[N@H+](CCC)C | 7 |
| 4zun_ligand_4_20.mol2 | 4zun | 1 | -6.09 | [NH2+](CC)CCC | 6 |
274 ,
28
