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 |
|---|---|---|---|---|
| FDBD00006 | Felypressin |
|
Vasoconstrictor Agents; Renal Agents; | For use as an alternative to adrenaline as a localising agent, provided that local ischaemia is not essential. |
| FDBD00007 | Octreotide |
|
Antineoplastic Agents, Hormonal; Gastrointestinal Agents; Hormone Replacement Agents; Pituitary and Hypothalamic Hormones and Analogues; Systemic Hormonal Preparations, Excl. Sex Hormones and Insulins; Hypothalamic Hormones; Somatostatin and Analogues; | For treatment of acromegaly and reduction of side effects from cancer chemotherapy. |
| FDBD00016 | L-Lysine |
|
Dietary Supplements; Micronutrients; Amino Acids, Essential; Supplements; | Supplemental L-lysine has putative anti-herpes simplex virus activity. There is preliminary research suggesting that it may have some anti-osteoporotic activity. |
| FDBD00019 | Spermine |
|
Dietary Supplements; Micronutrients; Supplements; | For nutritional supplementation, also for treating dietary shortage or imbalance. |
| FDBD00165 | Argatroban |
|
Antithrombins; Platelet Aggregation Inhibitors; Direct Thrombin Inhibitors; Antithrombotic Agents; Blood and Blood Forming Organs; CYP3A4 Inhibitors; | Argatroban is indicated for prevention and treatment of thrombosis caused by heparin induced thrombocytopenia (HIT). It is also indicated for use in patients with, or at risk for, HIT who are undergoing percutaneous coronary intervention. |
| FDBD00195 | Ibutilide |
|
Anti-Arrhythmia Agents; Cardiovascular System; Antiarrhythmics, Class III; Antiarrhythmics, Class I and Iii; Cardiac Therapy; Antiarrythmics, Class I and Iii; | Indicated for the rapid conversion of atrial fibrillation or atrial flutter of recent onset to sinus rhythm. |
| FDBD00383 | Aminocaproic Acid |
|
Antifibrinolytic Agents; Blood and Blood Forming Organs; Antihemorrhagics; Amino Acids; | For use in the treatment of excessive postoperative bleeding. |
| FDBD00586 | Lisinopril |
|
Angiotensin-Converting Enzyme Inhibitors; Antihypertensive Agents; Cardiotonic Agents; Lipid Modifying Agents; Cardiovascular System; Agents Acting on the Renin-Angiotensin System; ACE Inhibitors, Plain; ACE Inhibitors and Diuretics; ACE Inhibitors and Calcium Channel Blockers; | For the treatment of hypertension and symptomatic congestive heart failure. May be used in conjunction with thrombolytic agents, aspirin and/or β-blockers to improve survival in hemodynamically stable individuals following myocardial infarction. May be used to slow the progression of renal disease in hypertensive patients with diabetes mellitus and microalbuminuria or overt nephropathy. |
| FDBD00652 | Perindopril |
|
Angiotensin-Converting Enzyme Inhibitors; Antihypertensive Agents; Lipid Modifying Agents; Cardiovascular System; Agents Acting on the Renin-Angiotensin System; ACE Inhibitors, Plain; ACE Inhibitors and Diuretics; ACE Inhibitors and Calcium Channel Blockers; | For the treatment of mild to moderate essential hypertension, mild to moderate congestive heart failure, and to reduce the cardiovascular risk of individuals with hypertension or post-myocardial infarction and stable coronary disease. |
| FDBD00746 | Bumetanide |
|
Diuretics; Sodium Potassium Chloride Symporter Inhibitors; Cardiovascular System; Sulfonamides, Plain; High-Ceiling Diuretics; High-Ceiling Diuretics and Potassium-Sparing Agents; | For the treatment of edema associated with congestive heart failure, hepatic and renal disease including the nephrotic syndrome. |
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
