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 |
|---|---|---|---|---|
| FDBD00071 | Amphetamine |
|
Adrenergic Agents; Adrenergic Uptake Inhibitors; Central Nervous System Stimulants; Dopamine Agents; Dopamine Uptake Inhibitors; Sympathomimetics; Amphetamines; Nervous System; Psychoanaleptics; Centrally Acting Sympathomimetics; Psychostimulants, Agents Used for Adhd and Nootropics; CYP2A6 Inhibitors; CYP2A6 Inhibitors (strong); CYP2A6 Inhibitors (moderate); CYP2A6 Inducers; CYP2A6 Inducers (strong); CYP2D6 Inducers; CYP2D6 Inducers (strong); | For treatment of Attention Deficit Disorder with Hyperactivity (ADDH) and narcolepsy in children. |
| FDBD00076 | Esmolol |
|
Adrenergic beta-1 Receptor Antagonists; Cardiovascular System; Beta Blocking Agents, Selective; Beta Blocking Agents; | For the rapid control of ventricular rate in patients with atrial fibrillation or atrial flutter in perioperative, postoperative, or other emergent circumstances where short term control of ventricular rate with a short-acting agent is desirable. Also used in noncompensatory sinus tachycardia where the rapid heart rate requires specific intervention. |
| FDBD00080 | Phentermine |
|
Adrenergic Agents; Central Nervous System Stimulants; Sympathomimetics; Appetite Depressants; Stimulants; 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; CYP2D6 Inducers; CYP2D6 Inducers (strong); | For the treatment and management of obesity. |
| FDBD00081 | Indecainide |
|
Anti-Arrhythmia Agents; Sodium Channel Blockers; | For the treatment of life-threatening dysrhythmias and sustained ventricular tachycardia. |
| FDBD00084 | Betaxolol |
|
Antihypertensive Agents; Adrenergic beta-1 Receptor Antagonists; Sympatholytics; EENT Preparations; Ophthalmologicals; Sensory Organs; Cardiovascular System; Beta Blocking Agents, Selective; Beta Blocking Agents; Antiglaucoma Preparations and Miotics; Cytochrome P-450 CYP1A2 Inhibitors; Cytochrome P-450 CYP1A2 Inducers; CYP2D6 Inducers; CYP2D6 Inducers (strong); | For the management of hypertension. |
| FDBD00109 | Isoetarine |
|
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, wheezing, and chronic asthmatic bronchitis. |
| FDBD00152 | Metoprolol |
|
Antihypertensive Agents; Adrenergic beta-1 Receptor Antagonists; Sympatholytics; Anti-Arrhythmia Agents; Cardiovascular System; Beta Blocking Agents, Selective; Beta Blocking Agents; Beta Blocking Agents, Selective, and Thiazides; Beta Blocking Agents and Thiazides; Cytochrome P-450 CYP2C19 Inducers; CYP2D6 Inducers; CYP2D6 Inducers (strong); | For the management of acute myocardial infarction, angina pectoris, heart failure and mild to moderate hypertension. May be used to treat supraventricular and tachyarrhythmias and as prophylaxis for migraine headaches. |
| FDBD00167 | Disopyramide |
|
Anti-Arrhythmia Agents; Voltage-Gated Sodium Channel Blockers; Cardiovascular System; Antiarrhythmics, Class I and Iii; Cardiac Therapy; Antiarrythmics, Class I and Iii; Antiarrhythmics, Class Ia; CYP3A4 Inhibitors; | For the treatment of documented ventricular arrhythmias, such as sustained ventricular tachycardia, ventricular pre-excitation and cardiac dysrhythmias. It is a Class Ia antiarrhythmic drug. |
| FDBD00200 | Capreomycin |
|
Anti-Bacterial Agents; Protein Synthesis Inhibitors; Antibiotics, Antitubercular; Antibiotics; Antimycobacterials; Antiinfectives for Systemic Use; Drugs for Treatment of Tuberculosis; | Used in the treatment of tuberculosis in combination with other drugs. |
| FDBD00220 | Atenolol |
|
Antihypertensive Agents; Adrenergic beta-1 Receptor Antagonists; Sympatholytics; Anti-Arrhythmia Agents; Cardiovascular System; Beta Blocking Agents, Selective; Beta Blocking Agents; Beta Blocking Agents, Selective, and Thiazides; Beta Blocking Agents and Thiazides; | For the management of hypertention and long-term management of patients with angina pectoris. |
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
