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 |
|---|---|---|---|---|
| FDBD00669 | Proparacaine |
|
Anesthetics, Local; Ophthalmologicals; Sensory Organs; Local Anesthetics; | Used as a local (ophthalmic) anesthetic. |
| FDBD00699 | Progabide |
|
Antiparkinson Agents; Anticonvulsants; Antidepressive Agents; GABA Agonists; Antidyskinetics; Nervous System; Antiepileptics; Fatty Acid Derivatives; | Indicated for the treatment of epilepsy. |
| FDBD00702 | Dobutamine |
|
Sympathomimetics; Cardiotonic Agents; Adrenergic beta-1 Receptor Agonists; Cardiovascular System; Cardiac Therapy; Adrenergic and Dopaminergic Agents; Cardiac Stimulants Excl. Cardiac Glycosides; Beta2 Agonists; | For inotropic support in the short- term treatment of patients with cardiac decompensation due to depressed contractility resulting either from organic heart disease or from cardiac surgical procedures. |
| FDBD00723 | Ranitidine |
|
Anti-Ulcer Agents; Alimentary Tract and Metabolism; Drugs for Peptic Ulcer and Gastro-Oesophageal Reflux Disease (Gord); Drugs for Acid Related Disorders; Cytochrome P-450 CYP1A2 Inhibitors; Cytochrome P-450 CYP1A2 Inducers; Cytochrome P-450 CYP2C19 Inducers; CYP2D6 Inducers; CYP2D6 Inducers (strong); CYP3A4 Inhibitors; H2 Antagonists; Combined Inhibitors of CYP3A4 and P-glycoprotein; | Used in the treatment of peptic ulcer disease (PUD), dyspepsia, stress ulcer prophylaxis, and gastroesophageal reflux disease (GERD). |
| FDBD00727 | Ritodrine |
|
Sympathomimetics; Adrenergic beta-2 Receptor Agonists; Tocolytic Agents; Genito Urinary System and Sex Hormones; Sympathomimetics, Labour Repressants; Beta2 Agonists; | For the treatment and prophylaxis of premature labour. |
| FDBD00729 | Dorzolamide |
|
Carbonic Anhydrase Inhibitors; Ophthalmologicals; Sensory Organs; Antiglaucoma Preparations and Miotics; Cytochrome P-450 CYP2C9 Inhibitors; Cytochrome P-450 CYP2C9 Inducers; CYP3A4 Inhibitors; | For the treatment of elevated intraocular pressure in patients with ocular hypertension or open-angle glaucoma. Also used prophylatically for the inhibition of perioperative IOP increase (before neodynium yttrium aluminum garnet laser posterior capsulotomy). |
| 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. |
| FDBD00742 | Clomifene |
|
Fertility Agents, Female; Estrogen Antagonists; Selective Estrogen Receptor Modulators; Sex Hormones and Modulators of the Genital System; Genito Urinary System and Sex Hormones; Ovulation Stimulants, Synthetic; Cytochrome P-450 CYP1A2 Inhibitors; Cytochrome P-450 CYP1A2 Inducers; CYP2A6 Inhibitors; CYP2A6 Inhibitors (strong); CYP2A6 Inhibitors (moderate); CYP2A6 Inducers; CYP2A6 Inducers (strong); CYP2E1 Inhibitors; CYP2E1 Inducers; CYP2E1 Inducers (strong); CYP3A4 Inhibitors; | Used mainly in female infertility due to anovulation (e.g. due to polycystic ovary syndrome) to induce ovulation. |
| FDBD00746 | Bumetanide |
|
Diuretics; Sodium Potassium Chloride Symporter Inhibitors; Cardiovascular System; Sulfonamides, Plain; High-Ceiling Diuretics; High-Ceiling Diuretics and Potassium-Sparing Agents; | For the treatment of edema associated with congestive heart failure, hepatic and renal disease including the nephrotic syndrome. |
| FDBD00751 | Oxybuprocaine |
|
Anesthetics, Local; Ophthalmologicals; Sensory Organs; Dermatologicals; Local Anesthetics; Anesthetics for Topical Use; Antipruritics, Incl. Antihistamines, Anesthetics, Etc.; | Used to temporarily numb the front surface of the eye so that the eye pressure can be measured or a foreign body removed. |
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
