Common name
butane
IUPAC name
butane
SMILES
CCCC
Common name
butane
IUPAC name
butane
SMILES
CCCC
INCHI
InChI=1S/C4H10/c1-3-4-2/h3-4H2,1-2H3
FORMULA
C4H10
Common name
butane
IUPAC name
butane
Molecular weight
58.122
clogP
0.893
clogS
-1.283
Frequency
0.0680
HBond Acceptor
0
HBond Donor
0
Total PolarSurface Area
0
Number of Rings
0
Rotatable Bond
1
| Drug ID | Common name | Structure CAS | Compound class | Therapeutic area |
|---|---|---|---|---|
| FDBD00019 | Spermine |
|
Dietary Supplements; Micronutrients; Supplements; | For nutritional supplementation, also for treating dietary shortage or imbalance. |
| FDBD00024 | Alpha-Linolenic Acid |
|
Dietary Supplements; Micronutrients; Supplements; | For nutritional supplementation and for treating dietary shortage or imbalance. |
| FDBD00028 | Calcitriol |
|
Bone Density Conservation Agents; Vitamins; Calcium Channel Agonists; Antithyroid Agents; Vitamin D; Antihypocalcemic Agents; Alimentary Tract and Metabolism; Dermatologicals; Vitamin D and Analogues; Antipsoriatics for Topical Use; Antipsoriatics; Drugs for Keratoseborrheic Disorders, Topical Use (Atc Human: Antipsoriatics for Topical Use); Drugs for Keratoseborrheic Disorders (Atc Human: Antipsoriatics); CYP3A4 Inhibitors; | Used to treat vitamin D deficiency or insufficiency, refractory rickets (vitamin D resistant rickets), familial hypophosphatemia and hypoparathyroidism, and in the management of hypocalcemia and renal osteodystrophy in patients with chronic renal failure undergoing dialysis. Also used in conjunction with calcium in the management and prevention of primary or corticosteroid-induced osteoporosis. |
| FDBD00037 | Calcidiol |
|
Bone Density Conservation Agents; Vitamins; Antithyroid Agents; Vitamin D; Antihypocalcemic Agents; Alimentary Tract and Metabolism; Vitamin D and Analogues; | Used to treat vitamin D deficiency or insufficiency, refractory rickets (vitamin D resistant rickets), familial hypophosphatemia and hypoparathyroidism, and in the management of hypocalcemia and renal osteodystrophy in patients with chronic renal failure undergoing dialysis. Also used in conjunction with calcium in the management and prevention of primary or corticosteroid-induced osteoporosis. |
| FDBD00045 | Dihomo-gamma-linolenic acid |
|
Dietary Supplements; Micronutrients; Supplements; | For nutritional supplementation, also for treating dietary shortage or imbalance. |
| FDBD00053 | Vitamin E |
|
Antioxidants; Vitamins; Dietary Supplements; Micronutrients; Supplements; | Vitamin E, known for its antioxidant activities, is protective against cardiovascular disease and some forms of cancer and has also demonstrated immune-enhancing effects. It may be of limited benefit in some with asthma and rheumatoid arthritis. It may be helpful in some neurological diseases including Alzheimer's, some eye disorders including cataracts, and diabetes and premenstrual syndrome. It may also help protect skin from ultraviolet irradiation although claims that it reverses skin aging, enhances male fertility and exercise performance are poorly supported. It may help relieve some muscle cramps. |
| FDBD00056 | L-Isoleucine |
|
Dietary Supplements; Micronutrients; Amino Acids, Essential; Supplements; | The branched-chain amino acids may have antihepatic encephalopathy activity in some. They may also have anticatabolic and antitardive dyskinesia activity. |
| FDBD00058 | Cholecalciferol |
|
Bone Density Conservation Agents; Vitamins; Antithyroid Agents; Vitamin D; Antihypocalcemic Agents; Alimentary Tract and Metabolism; Musculo-Skeletal System; Vitamin D and Analogues; Drugs Affecting Bone Structure and Mineralization; Drugs for Treatment of Bone Diseases; Cytochrome P-450 CYP2C9 Inhibitors; Cytochrome P-450 CYP2C8 Inhibitors; Cytochrome P-450 CYP2C9 Inducers; Cytochrome P-450 CYP2C19 Inducers; Cytochrome P-450 CYP2C8 Inducers; Cytochrome P-450 CYP2B6 Inducers; Cytochrome P-450 CYP2B6 Inhibitors; CYP2B6 Inhibitors (strong); CYP2D6 Inducers; CYP2D6 Inducers (strong); CYP3A4 Inhibitors; | For the treatment of vitamin D deficiency or insufficiency, refractory rickets (vitamin D resistant rickets), familial hypophosphatemia and hypoparathyroidism, and in the management of hypocalcemia and renal osteodystrophy in patients with chronic renal failure undergoing dialysis. Also used in conjunction with calcium in the management and prevention of primary or corticosteroid-induced osteoporosis. |
| FDBD00064 | Pravastatin |
|
Anticholesteremic Agents; Hydroxymethylglutaryl-CoA Reductase Inhibitors; HMG CoA Reductase Inhibitors; Lipid Modifying Agents, Plain; Lipid Modifying Agents; Cardiovascular System; Cytochrome P-450 CYP2C9 Inhibitors; Cytochrome P-450 CYP2C8 Inhibitors; Cytochrome P-450 CYP2C9 Inducers; Cytochrome P-450 CYP2C8 Inducers; CYP2D6 Inducers; CYP2D6 Inducers (strong); CYP3A4 Inhibitors; Combined Inhibitors of CYP3A4 and P-glycoprotein; | For the treatment of hypercholesterolemia and to reduce the risk of cardiovascular disease. |
| FDBD00065 | Fluvoxamine |
|
Antidepressive Agents, Second-Generation; Anti-Anxiety Agents; Serotonin Uptake Inhibitors; Nervous System; Antidepressants; Psychoanaleptics; Selective Serotonin Reuptake Inhibitors; Cytochrome P-450 CYP1A2 Inhibitors; Cytochrome P-450 CYP2C9 Inhibitors; Cytochrome P-450 CYP1A2 Inducers; Cytochrome P-450 CYP2C9 Inducers; Cytochrome P-450 CYP2C19 Inducers; Cytochrome P-450 CYP2B6 Inducers; Cytochrome P-450 CYP2B6 Inhibitors; CYP2B6 Inhibitors (strong); CYP2D6 Inducers; CYP2D6 Inducers (strong); CYP2E1 Inhibitors; CYP2E1 Inducers; CYP2E1 Inducers (strong); CYP3A4 Inhibitors; Combined Inhibitors of CYP3A4 and P-glycoprotein; | For management of depression and for Obsessive Compulsive Disorder (OCD). Has also been used in the management of bulimia nervosa. |
198 ,
20
| FRAGNAME | PDBID | SIMILIRITY | XSCORE | SMILE | HAC |
|---|---|---|---|---|---|
| 4m3f_ligand_2_7.mol2 | 4m3f | 1 | -6.83 | C(C(C)C)C | 5 |
| 3cvk_ligand_2_5.mol2 | 3cvk | 1 | -6.80 | C(C(C)(C)C)C | 6 |
| 1yt7_ligand_2_51.mol2 | 1yt7 | 1 | -6.59 | C(C(C)(C)C)C | 6 |
| 1gt3_ligand_2_0.mol2 | 1gt3 | 1 | -6.53 | CC(C)CC | 5 |
| 2v12_ligand_3_651.mol2 | 2v12 | 1 | -6.50 | C(C)(C)C(C)C | 6 |
| 2v0z_ligand_3_749.mol2 | 2v0z | 1 | -6.49 | CC(C)C(C)C | 6 |
| 4u82_ligand_3_251.mol2 | 4u82 | 1 | -6.46 | C(C(C)C)C | 5 |
| 4djh_ligand_2_9.mol2 | 4djh | 1 | -6.45 | C(C(C)C)C | 5 |
| 1dmt_ligand_2_26.mol2 | 1dmt | 1 | -6.44 | C(C(C)C)C | 5 |
| 1fbm_ligand_3_16.mol2 | 1fbm | 1 | -6.44 | C(C)(C)CC | 5 |
2388 ,
239
