Common name
ethanamine
IUPAC name
ethanamine
SMILES
CCN
Common name
ethanamine
IUPAC name
ethanamine
SMILES
CCN
INCHI
InChI=1S/C2H7N/c1-2-3/h2-3H2,1H3
FORMULA
C2H7N
Common name
ethanamine
IUPAC name
ethanamine
Molecular weight
45.084
clogP
-0.554
clogS
-0.083
Frequency
0.0677
HBond Acceptor
0
HBond Donor
2
Total PolarSurface Area
26.02
Number of Rings
0
Rotatable Bond
0
| Drug ID | Common name | Structure CAS | Compound class | Therapeutic area |
|---|---|---|---|---|
| FDBD00991 | Amifostine |
|
Radiation-Protective Agents; Detoxifying Agents for Antineoplastic Treatment; | For reduction in the cumulative renal toxicity in patients with ovarian cancer (using cisplatin) and moderate to severe xerostomia in patients undergoing post-operative radiation treatment for head and neck cancer. |
| FDBD01003 | Bupropion |
|
Antidepressive Agents, Second-Generation; Dopamine Uptake Inhibitors; Alimentary Tract and Metabolism; Nervous System; Antidepressants; Psychoanaleptics; Centrally Acting Antiobesity Products; Antiobesity Preparations, Excl. Diet Products; Cytochrome P-450 CYP1A2 Inhibitors; Cytochrome P-450 CYP2C9 Inhibitors; Cytochrome P-450 CYP1A2 Inducers; Cytochrome P-450 CYP2C8 Inhibitors; Cytochrome P-450 CYP2C9 Inducers; Cytochrome P-450 CYP2C8 Inducers; Cytochrome P-450 CYP2B6 Inducers; Cytochrome P-450 CYP2B6 Inhibitors; CYP2A6 Inhibitors; CYP2A6 Inhibitors (strong); CYP2A6 Inhibitors (moderate); CYP2A6 Inducers; CYP2A6 Inducers (strong); CYP2B6 Inhibitors (strong); CYP2D6 Inducers; CYP2D6 Inducers (strong); CYP2E1 Inhibitors; CYP2E1 Inducers; CYP2E1 Inducers (strong); CYP3A4 Inhibitors; | For the treatment of depression and as aid to smoking cessation. |
| FDBD01008 | Chloroprocaine |
|
Anesthetics, Local; Anesthetics; Nervous System; Esters of Aminobenzoic Acid; Antiemetics Antagonists; | For the production of local anesthesia by infiltration and peripheral nerve block. They are not to be used for lumbar or caudal epidural anesthesia. |
| FDBD01037 | Dexfenfluramine |
|
Serotonin Uptake Inhibitors; Anti-Obesity Agents; Serotonin Receptor Agonists; Alimentary Tract and Metabolism; Centrally Acting Antiobesity Products; Antiobesity Preparations, Excl. Diet Products; Cytochrome P-450 CYP1A2 Inhibitors; Cytochrome P-450 CYP2C9 Inhibitors; Cytochrome P-450 CYP1A2 Inducers; Cytochrome P-450 CYP2C9 Inducers; Cytochrome P-450 CYP2C19 Inducers; CYP2A6 Inhibitors; CYP2A6 Inhibitors (strong); CYP2A6 Inhibitors (moderate); CYP2A6 Inducers; CYP2A6 Inducers (strong); CYP2D6 Inducers; CYP2D6 Inducers (strong); CYP2E1 Inhibitors; CYP2E1 Inducers; CYP2E1 Inducers (strong); | For the management of obesity including weight loss and maintenance of weight loss in patients on a reduced calorie diet. |
| FDBD01040 | Brinzolamide |
|
Carbonic Anhydrase Inhibitors; Anti-glaucoma Agents; Ophthalmics; Ophthalmologicals; Sensory Organs; Antiglaucoma Preparations and Miotics; CYP3A4 Inhibitors; | For the treatment of elevated intraocular pressure in patients with ocular hypertension or open-angle glaucoma. |
| FDBD01050 | Mitoxantrone |
|
Antineoplastic Agents; Immunosuppressive Agents; Analgesics; Topoisomerase II Inhibitors; Antineoplastic and Immunomodulating Agents; Cytotoxic Antibiotics and Related Substances; Anthracyclines and Related Substances; CYP2E1 Inhibitors; CYP2E1 Inducers; CYP2E1 Inducers (strong); CYP3A4 Inhibitors; Combined Inhibitors of CYP3A4 and P-glycoprotein; | For the treatment of secondary (chronic) progressive, progressive relapsing, or worsening relapsing-remitting multiple sclerosis. |
| 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. |
| FDBD01077 | Metoclopramide |
|
Antiemetics; Dopamine Antagonists; Prokinetic Agents; Alimentary Tract and Metabolism; Drugs for Functional Gastrointestinal Disorders; Propulsives; Dopamine D2 Receptor Antagonists; CYP2D6 Inducers; CYP2D6 Inducers (strong); | For the treatment of gastroesophageal reflux disease (GERD). It is also used in treating nausea and vomiting, and to increase gastric emptying. |
| FDBD01088 | Bepridil |
|
Antihypertensive Agents; Anti-Arrhythmia Agents; Vasodilator Agents; Calcium Channel Blockers; Cardiovascular System; Phenylalkylamine Derivatives; Non-Selective Calcium Channel Blockers; CYP2D6 Inducers; CYP2D6 Inducers (strong); | For the treatment of hypertension, and chronic stable angina (classic effort-associated angina). |
| FDBD01099 | Lisdexamfetamine |
|
Central Nervous System Stimulants; Dopamine Uptake Inhibitors; Adrenergic alpha-1 Receptor Antagonists; Nervous System; Psychoanaleptics; Centrally Acting Sympathomimetics; Psychostimulants, Agents Used for Adhd and Nootropics; | For the treatment of Attention Deficit/Hyperactivity Disorder (ADHD) in pediatric populations aged 6 to 12 years. |
197 ,
20
| FRAGNAME | PDBID | SIMILIRITY | XSCORE | SMILE | HAC |
|---|---|---|---|---|---|
| 1a99_ligand_1_2.mol2 | 1a99 | 1 | -5.92 | CC[NH3+] | 3 |
| 1pot_ligand_1_5.mol2 | 1pot | 1 | -5.90 | C([NH3+])C | 3 |
| 1i7m_ligand_1_2.mol2 | 1i7m | 1 | -5.88 | CC[NH3+] | 3 |
| 3a5y_ligand_1_0.mol2 | 3a5y | 1 | -5.86 | [NH3+]CC | 3 |
| 2zxg_ligand_frag_1.mol2 | 2zxg | 1 | -5.85 | C([NH3+])C | 3 |
| 3ebh_ligand_1_0.mol2 | 3ebh | 1 | -5.84 | [NH3+]CC | 3 |
| 4q4i_ligand_1_0.mol2 | 4q4i | 1 | -5.83 | [NH3+]CC | 3 |
1149 ,
115
