Common name
propan-2-amine
IUPAC name
propan-2-amine
SMILES
CC(N)C
Common name
propan-2-amine
IUPAC name
propan-2-amine
SMILES
CC(N)C
INCHI
InChI=1S/C3H9N/c1-3(2)4/h3H,4H2,1-2H3
FORMULA
C3H9N
Common name
propan-2-amine
IUPAC name
propan-2-amine
Molecular weight
59.110
clogP
-0.371
clogS
-0.166
Frequency
0.0210
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 |
|---|---|---|---|---|
| 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. |
| FDBD01039 | Acebutolol |
|
Antihypertensive Agents; Sympathomimetics; Adrenergic beta-1 Receptor Antagonists; Anti-Arrhythmia Agents; Cardiovascular System; Beta Blocking Agents, Selective; Beta Blocking Agents; Beta Blocking Agents, Selective, and Thiazides; Beta Blocking Agents and Thiazides; CYP2D6 Inducers; CYP2D6 Inducers (strong); | For the management of hypertension and ventricular premature beats in adults. |
| FDBD01060 | Metipranolol |
|
Antihypertensive Agents; Sympatholytics; Anti-Arrhythmia Agents; Adrenergic beta-Antagonists; Ophthalmologicals; Sensory Organs; Cardiovascular System; Beta Blocking Agents; Antiglaucoma Preparations and Miotics; Beta Blocking Agents and Thiazides; Beta Blocking Agents, Non-Selective, and Thiazides; | Indicated in the treatment of elevated intraocular pressure in patients with ocular hypertension or open angle glaucoma. |
| FDBD01103 | Sitagliptin |
|
Hypoglycemic Agents; Dipeptidyl-Peptidase IV Inhibitors; Drugs Used in Diabetes; Alimentary Tract and Metabolism; Blood Glucose Lowering Drugs, Excl. Insulins; Cytochrome P-450 CYP2C8 Inhibitors; Cytochrome P-450 CYP2C8 Inducers; Incretins; CYP3A4 Inhibitors; | For use as an adjunct to diet and exercise to improve glycemic control in patients with type 2 diabetes mellitus. Also for use in patients with type 2 diabetes mellitus to improve glycemic control in combination with metformin or a PPARγ agonist (e.g., thiazolidinediones) when the single agent alone, with diet and exercise, does not provide adequate glycemic control. |
| FDBD01111 | Arformoterol |
|
Adrenergic beta-2 Receptor Agonists; Bronchodilator Agents; Cytochrome P-450 CYP2C9 Inhibitors; 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); Beta2 Agonists; | A bronchodilator used for the long term, symptomatic treatment of reversible bronchoconstriction in patients with chronic obstructive pulmonary disease (COPD), including chronic bronchitis and emphysema. |
| FDBD01116 | Fenoterol |
|
Sympathomimetics; Adrenergic beta-2 Receptor Agonists; Bronchodilator Agents; Tocolytic Agents; Respiratory System; Drugs for Obstructive Airway Diseases; Genito Urinary System and Sex Hormones; Selective Beta-2-Adrenoreceptor Agonists; Adrenergics, Inhalants; Adrenergics for Systemic Use; Sympathomimetics, Labour Repressants; Beta2 Agonists; | Fenoterol is used for the treatment of asthma. |
| FDBD01122 | Practolol |
|
Adrenergic beta-1 Receptor Antagonists; Anti-Arrhythmia Agents; Cardiovascular System; Beta Blocking Agents, Selective; Beta Blocking Agents; | Used in the emergency treatment of cardiac arrhythmias. |
| FDBD01162 | Procaterol |
|
Sympathomimetics; Adrenergic beta-2 Receptor Agonists; Bronchodilator Agents; Respiratory System; Drugs for Obstructive Airway Diseases; Selective Beta-2-Adrenoreceptor Agonists; Adrenergics, Inhalants; Adrenergics for Systemic Use; Beta2 Agonists; | For the treatment of asthma and chronic obstructive pulmonary disease (COPD). |
| FDBD01216 | Fenethylline |
|
Nervous System; Psychoanaleptics; Centrally Acting Sympathomimetics; Psychostimulants, Agents Used for Adhd and Nootropics; | |
| FDBD01222 | Fenproporex |
|
Fenproporex is used as an appetite suppressant, and anti-obesity agent [2]; however, due to substance abuse potential, it is an illicit substance in many countries. In some countries, such as Brazil, it is still prescribed -- often in the form of diet pills (ie. Brazilian Diet Pills) which combine amphetamines, benzodiazepines, antidepressants, diuretics and laxatives. |
61 ,
7
| FRAGNAME | PDBID | SIMILIRITY | XSCORE | SMILE | HAC |
|---|---|---|---|---|---|
| 2vin_ligand_1_0.mol2 | 2vin | 1 | -6.13 | CC(C)[NH3+] | 4 |
| 4w7p_ligand_1_0.mol2 | 4w7p | 1 | -6.13 | CC(C)(C)[NH3+] | 5 |
| 2vj8_ligand_2_34.mol2 | 2vj8 | 1 | -6.11 | CC(C)[NH3+] | 4 |
| 4fmu_ligand_2_13.mol2 | 4fmu | 1 | -6.08 | C([NH3+])(C)C | 4 |
| 4lar_ligand_1_0.mol2 | 4lar | 1 | -6.06 | CC([NH3+])C | 4 |
| 2irz_ligand_1_5.mol2 | 2irz | 1 | -6.04 | CC([NH3+])C | 4 |
| 2fdp_ligand_2_13.mol2 | 2fdp | 1 | -6.03 | CC(C)[NH3+] | 4 |
| 2is0_ligand_2_31.mol2 | 2is0 | 1 | -6.03 | C([NH3+])(C)C | 4 |
| 2oah_ligand_2_39.mol2 | 2oah | 1 | -6.01 | CC(C)[NH3+] | 4 |
599 ,
60
