Common name
N-propylpropan-2-amine
IUPAC name
N-propylpropan-2-amine
SMILES
C(C)(C)NCCC
Common name
N-propylpropan-2-amine
IUPAC name
N-propylpropan-2-amine
SMILES
C(C)(C)NCCC
INCHI
InChI=1S/C6H15N/c1-4-5-7-6(2)3/h6-7H,4-5H2,1-3H3
FORMULA
C6H15N
Common name
N-propylpropan-2-amine
IUPAC name
N-propylpropan-2-amine
Molecular weight
101.190
clogP
0.936
clogS
-1.874
Frequency
0.0024
HBond Acceptor
0
HBond Donor
1
Total Polar
Surface Area
12.03
Number of Rings
0
Rotatable Bond
3
| Drug ID | Common name | Structure CAS | Compound class | Therapeutic area |
|---|---|---|---|---|
| FDBD00081 | Indecainide |
|
Anti-Arrhythmia Agents; Sodium Channel Blockers; | For the treatment of life-threatening dysrhythmias and sustained ventricular tachycardia. |
| 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. |
| 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. |
| 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). |
| 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). |
| FDBD01442 | Fesoterodine |
|
Muscarinic Antagonists; Anti-Incontinence Agents; Antispasmodics; Muscle Relaxants, Genitourinary; Genito Urinary System and Sex Hormones; Drugs for Urinary Frequency and Incontinence; Urological Agents; CYP2D6 Inducers; CYP2D6 Inducers (strong); CYP3A4 Inhibitors; | For the treatment of overactive bladder (with symptoms of urinary frequency, urgency, or urge incontinence). |
| FDBD01831 | Selexipag |
|
Antihypertensive Agents; Antithrombotic Agents; Blood and Blood Forming Organs; Platelet Aggregation Inhibitors Excl. Heparin; Cytochrome P-450 CYP2C8 Inhibitors; Cytochrome P-450 CYP2C8 Inducers; CYP3A4 Inhibitors; | Selexipag is indicated for the treatment of pulmonary arterial hypertension (PAH) to delay disease progression and reduce risk of hospitalization. |
7 ,
1
| FRAGNAME | PDBID | SIMILIRITY | XSCORE | SMILE | HAC |
|---|---|---|---|---|---|
| 4fmu_ligand_4_55.mol2 | 4fmu | 1 | -6.92 | C([NH2+]CCC)(C)C | 7 |
| 1pot_ligand_4_10.mol2 | 1pot | 1 | -6.61 | C(C[NH2+]CC)C | 6 |
| 4fmu_ligand_3_40.mol2 | 4fmu | 1 | -6.54 | C([NH2+]CCC)C | 6 |
| 4fmu_ligand_3_46.mol2 | 4fmu | 1 | -6.50 | C([NH2+]CCC)C | 6 |
| 3acx_ligand_3_37.mol2 | 3acx | 1 | -6.26 | C(C)(C)[NH2+]CCC | 7 |
| 4eki_ligand_5_231.mol2 | 4eki | 1 | -6.18 | C(C)C[N@H+](C)C(C)C | 8 |
| 4eki_ligand_4_175.mol2 | 4eki | 1 | -6.17 | C(C)C[NH2+]C(C)C | 7 |
| 2f94_ligand_5_50.mol2 | 2f94 | 1 | -6.12 | C(C)[N@H+](CCC)C | 7 |
| 4zun_ligand_4_20.mol2 | 4zun | 1 | -6.09 | [NH2+](CC)CCC | 6 |
274 ,
28
