Common name
2-methylbutane
IUPAC name
2-methylbutane
SMILES
C(C)(C)CC
Common name
2-methylbutane
IUPAC name
2-methylbutane
SMILES
C(C)(C)CC
INCHI
InChI=1S/C5H12/c1-4-5(2)3/h5H,4H2,1-3H3
FORMULA
C5H12
Common name
2-methylbutane
IUPAC name
2-methylbutane
Molecular weight
72.149
clogP
1.166
clogS
-1.355
Frequency
0.0103
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 |
|---|---|---|---|---|
| FDBD00876 | Phylloquinone |
|
Vitamins; Antifibrinolytic Agents; Vitamin K; Blood and Blood Forming Organs; Antihemorrhagics; | For the treatment of haemorrhagic conditions in infants, antidote for coumarin anticoagulants in hypoprothrombinaemia. |
| FDBD00921 | Dihydrotachysterol |
|
Bone Density Conservation Agents; Vitamins; Antithyroid Agents; Vitamin D; Antihypocalcemic Agents; Alimentary Tract and Metabolism; Vitamin D and Analogues; | Used for the prevention and treatment of rickets or osteomalacia, and to manage hypocalcemia associated with hypoparathyroidism or pseudohypoparathyroidism. Also used for the treatment of vitamin D dependent rickets, rickets or osteomalacia secondary to long-term high dose anticonvulsant therapy, early renal osteodystrophy, osteoporosis (in conjunction with calcium), and hypophosphatemia associated with Fanconi syndrome (with treatment of acidosis). |
| FDBD00955 | Sibutramine |
|
Appetite Depressants; Antidepressive Agents; Stimulants; Alimentary Tract and Metabolism; Centrally Acting Antiobesity Products; Antiobesity Preparations, Excl. Diet Products; CYP3A4 Inhibitors; | For the treatment of obesity. |
| FDBD01114 | Carbetocin |
|
Oxytocics; Delayed-Action Preparations; Anti-tocolytic Agents; Labor Induction Agents; Pituitary and Hypothalamic Hormones and Analogues; Systemic Hormonal Preparations, Excl. Sex Hormones and Insulins; Posterior Pituitary Lobe Hormones; Oxytocin and Analogues; | Used to control postpartum hemorrhage and bleeding after giving birth. |
| FDBD01150 | Amobarbital |
|
Hypnotics and Sedatives; GABA Modulators; Nervous System; Psycholeptics; Barbiturates, Plain; CYP2A6 Inhibitors; CYP2A6 Inhibitors (strong); CYP2A6 Inhibitors (moderate); CYP2A6 Inducers; CYP2A6 Inducers (strong); | |
| FDBD01209 | Alfacalcidol |
|
Bone Density Conservation Agents; Vitamins; Alimentary Tract and Metabolism; Musculo-Skeletal System; Vitamin D and Analogues; Drugs Affecting Bone Structure and Mineralization; Drugs for Treatment of Bone Diseases; | Alfacalcidol is an active metabolite of Vitamin D, which performs important functions in regulation of the calcium balance and the bone metabolism. |
| FDBD01412 | Doxercalciferol |
|
Bone Density Conservation Agents; Vitamins; Systemic Hormonal Preparations, Excl. Sex Hormones and Insulins; Anti-Parathyroid Agents; Calcium Homeostasis; | Doxercalciferol is indicated for the treatment of secondary hyperparathyroidism in patients with chronic kidney disease on dialysis, as well as for the treatment of secondary hyperparathyroidism in patients with Stage 3 or Stage 4 chronic kidney disease. |
| FDBD01593 | Hexetidine |
|
Antifungal Agents; Anti-Infective Agents, Local; Genito Urinary System and Sex Hormones; Alimentary Tract and Metabolism; Stomatological Preparations; Gynecological Antiinfectives and Antiseptics; Antiinfectives and Antiseptics for Local Oral Treatment; | |
| FDBD01594 | Gemeprost |
|
Prostaglandins; Genito Urinary System and Sex Hormones; Uterotonics; | |
| FDBD01633 | Aliskiren |
|
Cardiovascular System; Agents Acting on the Renin-Angiotensin System; Renin-Inhibitors; CYP3A4 Inhibitors; | For the treatment of hypertension, to lower blood pressure. |
30 ,
4
| 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
