Common name
butan-1-amine
IUPAC name
butan-1-amine
SMILES
C(CCN)C
Common name
butan-1-amine
IUPAC name
butan-1-amine
SMILES
C(CCN)C
INCHI
InChI=1S/C4H11N/c1-2-3-4-5/h2-5H2,1H3
FORMULA
C4H11N
Common name
butan-1-amine
IUPAC name
butan-1-amine
Molecular weight
73.137
clogP
0.198
clogS
-0.986
Frequency
0.0106
HBond Acceptor
0
HBond Donor
2
Total PolarSurface Area
26.02
Number of Rings
0
Rotatable Bond
2
| Drug ID | Common name | Structure CAS | Compound class | Therapeutic area |
|---|---|---|---|---|
| FDBD01486 | Lanreotide |
|
Antineoplastic Agents; Pituitary and Hypothalamic Hormones and Analogues; Systemic Hormonal Preparations, Excl. Sex Hormones and Insulins; Hypothalamic Hormones; Somatostatin and Analogues; | Lanreotide is a somatostatin analog approved for treatment of neuroendocrine tumours and acromegaly. (2). |
| FDBD01592 | Hexoprenaline |
|
Adrenergic beta-2 Receptor Agonists; Bronchodilator Agents; Tocolytic Agents; Respiratory System; Drugs for Obstructive Airway Diseases; Selective Beta-2-Adrenoreceptor Agonists; Adrenergics, Inhalants; Adrenergics for Systemic Use; | |
| FDBD01633 | Aliskiren |
|
Cardiovascular System; Agents Acting on the Renin-Angiotensin System; Renin-Inhibitors; CYP3A4 Inhibitors; | For the treatment of hypertension, to lower blood pressure. |
| FDBD01665 | Vilanterol |
|
Immunosuppressive Agents; Respiratory System; Drugs for Obstructive Airway Diseases; Adrenergics, Inhalants; CYP3A4 Inhibitors; Beta2 Agonists; | Vilanterol is approved for use in several combination products such as with fluticasone furoate under the tradename Breo Ellipta and in combination with umeclidinium bromide as Anoro Ellipta. Approved by the FDA in 2013, use of Breo Ellipta is indicated for the long-term, once-daily maintenance treatment of airflow obstruction in patients with COPD, including chronic bronchitis and emphysema. It is also indicated for once-daily maintenance treatment of asthma in patients aged 18 or older with reversible obstructive airways disease. |
| FDBD01668 | Tetracaine |
|
Anesthetics, Local; Anesthetics; Ophthalmologicals; Sensory Organs; Dermatologicals; Nervous System; Cardiovascular System; Local Anesthetics; Agents for Treatment of Hemorrhoids and Anal Fissures for Topical Use; Vasoprotectives; Anesthetics for Topical Use; Antipruritics, Incl. Antihistamines, Anesthetics, Etc.; Esters of Aminobenzoic Acid; | |
| FDBD01786 | Tianeptine |
|
Nervous System; Antidepressants; Psychoanaleptics; | Used primarily in the treatment of major depressive disorder, although it may also be used to treat asthma or irritable bowel syndrome. |
| 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. |
| FDBD01926 | flursulamid |
|
Insecticide | Insecticide |
| FDBD02517 | benfluralin |
|
Herbicide | Herbicide |
| FDBD02895 | dodicin |
|
Fungicide | Fungicide |
31 ,
4
| FRAGNAME | PDBID | SIMILIRITY | XSCORE | SMILE | HAC |
|---|---|---|---|---|---|
| 4q4i_ligand_2_1.mol2 | 4q4i | 1 | -6.52 | [NH3+]CCC(C)C | 6 |
| 3g19_ligand_2_9.mol2 | 3g19 | 1 | -6.50 | [NH3+]CCC(C)C | 6 |
| 3b3c_ligand_2_1.mol2 | 3b3c | 1 | -6.38 | C(C[NH3+])C(C)C | 6 |
| 3b7i_ligand_2_1.mol2 | 3b7i | 1 | -6.30 | C(C)(C)CC[NH3+] | 6 |
| 2v16_ligand_3_100.mol2 | 2v16 | 1 | -6.29 | C([NH3+])CC(C)(C)C | 7 |
| 4kx8_ligand_2_1.mol2 | 4kx8 | 1 | -6.28 | C(C)(C)CC[NH3+] | 6 |
| 2pvu_ligand_3_3.mol2 | 2pvu | 1 | -6.22 | CCCC[NH3+] | 5 |
| 1ft7_ligand_2_1.mol2 | 1ft7 | 1 | -6.20 | C(C)(C)CC[NH3+] | 6 |
| 1tmn_ligand_2_1.mol2 | 1tmn | 1 | -6.20 | C(C(C)C)C[NH3+] | 6 |
295 ,
30
