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 |
|---|---|---|---|---|
| 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. |
| FDBD00726 | Alprenolol |
|
Antihypertensive Agents; Sympatholytics; Anti-Arrhythmia Agents; Adrenergic beta-Antagonists; Cardiovascular System; Beta Blocking Agents; Beta Blocking Agents, Non-Selective; CYP2D6 Inducers; CYP2D6 Inducers (strong); | For the treatment of hypertension, angina, and arrhythmia. |
| FDBD00782 | Phenoxybenzamine |
|
Antihypertensive Agents; Vasodilator Agents; Adrenergic alpha-1 Receptor Antagonists; Adrenergic alpha-Antagonists; Cardiovascular System; Peripheral Vasodilators; CYP3A4 Inhibitors; | For the treatment of phaeochromocytoma (malignant), benign prostatic hypertrophy and malignant essential hypertension. |
| FDBD00815 | Pindolol |
|
Antihypertensive Agents; Vasodilator Agents; Serotonin Antagonists; Adrenergic beta-Antagonists; Cardiovascular System; Beta Blocking Agents; Beta Blocking Agents, Non-Selective; CYP2D6 Inducers; CYP2D6 Inducers (strong); | For the management of hypertension, edema, ventricular tachycardias, and atrial fibrillation. |
| FDBD00837 | Formoterol |
|
Sympathomimetics; Adrenergic beta-2 Receptor Agonists; Bronchodilator Agents; Respiratory System; Drugs for Obstructive Airway Diseases; Selective Beta-2-Adrenoreceptor Agonists; Adrenergics, Inhalants; 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; | For use as long-term maintenance treatment of asthma in patients 6 years of age and older with reversible obstructive airways disease, including patients with symptoms of nocturnal asthma, who are using optimal corticosteroid treatment and experiencing regular or frequent breakthrough symptoms requiring use of a short-acting bronchodilator. Not indicated for asthma that can be successfully managed with occasional use of an inhaled, short-acting beta2-adrenergic agonist. Also used for the prevention of exercise-induced bronchospasm, as well as long-term treatment of bronchospasm associated with COPD. |
| FDBD00889 | Tolterodine |
|
Muscarinic Antagonists; Anti-Incontinence Agents; Antispasmodics; Muscle Relaxants, Genitourinary; Genito Urinary System and Sex Hormones; Drugs for Urinary Frequency and Incontinence; Cytochrome P-450 CYP2C9 Inhibitors; Urological Agents; Cytochrome P-450 CYP2C9 Inducers; Cytochrome P-450 CYP2C19 Inducers; CYP2D6 Inducers; CYP2D6 Inducers (strong); CYP3A4 Inhibitors; | For the treatment of overactive bladder (with symptoms of urinary frequency, urgency, or urge incontinence). |
| FDBD00915 | Isoprenaline |
|
Sympathomimetics; Bronchodilator Agents; Cardiotonic Agents; Adrenergic beta-Agonists; Respiratory System; Drugs for Obstructive Airway Diseases; Cardiovascular System; Cardiac Therapy; Adrenergic and Dopaminergic Agents; Cardiac Stimulants Excl. Cardiac Glycosides; Adrenergics, Inhalants; Adrenergics for Systemic Use; Non-Selective Beta-Adrenoreceptor Agonists; Beta2 Agonists; | For the treatment of mild or transient episodes of heart block that do not require electric shock or pacemaker therapy also used in management of asthma and chronic bronchitis. |
| FDBD00937 | Primaquine |
|
Antimalarials; Antiprotozoal Agents; Antiparasitic Products, Insecticides and Repellents; Aminoquinolines; Cytochrome P-450 CYP1A2 Inhibitors; Cytochrome P-450 CYP1A2 Inducers; CYP2D6 Inducers; CYP2D6 Inducers (strong); CYP3A4 Inhibitors; | For the treatment of malaria. |
| FDBD00946 | Oxamniquine |
|
Anthelmintics; Schistosomicides; Antiparasitic Products, Insecticides and Repellents; Quinoline Derivatives and Related Substances; Antitrematodals; CYP2D6 Inducers; CYP2D6 Inducers (strong); | For treatment of Schistosomiasis caused by . |
| 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. |
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
