Common name
isobutane
IUPAC name
isobutane
SMILES
C(C)(C)C
Common name
isobutane
IUPAC name
isobutane
SMILES
C(C)(C)C
INCHI
InChI=1S/C4H10/c1-4(2)3/h4H,1-3H3
FORMULA
C4H10
Common name
isobutane
IUPAC name
isobutane
Molecular weight
58.122
clogP
0.723
clogS
-0.909
Frequency
0.0611
HBond Acceptor
0
HBond Donor
0
Total PolarSurface Area
0
Number of Rings
0
Rotatable Bond
0
| Drug ID | Common name | Structure CAS | Compound class | Therapeutic area |
|---|---|---|---|---|
| FDBD01184 | Bambuterol |
|
Respiratory System; Drugs for Obstructive Airway Diseases; Selective Beta-2-Adrenoreceptor Agonists; Adrenergics for Systemic Use; Beta2 Agonists; | For the prevention and reversal of bronchospasm in patients 12 years of age and older with asthma and reversible bronchospasm associated with bronchitis and emphysema. |
| 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. |
| FDBD01249 | Probucol |
|
Antioxidants; Anticholesteremic Agents; Lipid Modifying Agents, Plain; Lipid Modifying Agents; Cardiovascular System; | Used to lower LDL and HDL cholesterol. |
| FDBD01251 | Lopinavir |
|
Anti-HIV Agents; HIV Protease Inhibitors; Antiinfectives for Systemic Use; Direct Acting Antivirals; Antivirals for Systemic Use; Cytochrome P-450 CYP1A2 Inhibitors; Cytochrome P-450 CYP2C9 Inhibitors; Cytochrome P-450 CYP1A2 Inducers; Cytochrome P-450 CYP3A Inhibitors; 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); CYP3A4 Inhibitors; Combined Inhibitors of CYP3A4 and P-glycoprotein; | Indicated in combination with other antiretroviral agents for the treatment of HIV-infection. |
| FDBD01254 | Pivampicillin |
|
Anti-Bacterial Agents; Penicillins; Antibacterials for Systemic Use; Antiinfectives for Systemic Use; Antibacterials for Intramammary Use; Beta-Lactam Antibacterials, Penicillins; Penicillins With Extended Spectrum; | or the treatment of respiratory tract infections (including acute bronchitis, acute exacerbations of chronic bronchitis and pneumonia); ear, nose and throat infections; gynecological infections; urinary tract infections (including acute uncomplicated gonococcal urethritis) when caused by non penicillinase-producing susceptible strains of the following organisms: gram-positive organisms, e.g., streptococci, pneumococci and staphylococci; gram-negative organisms, e.g., H. influenzae, N. gonorrhoeae, E. coli, P. mirabilis. |
| FDBD01255 | Pivmecillinam |
|
Anti-Bacterial Agents; Anti-Infective Agents, Urinary; Penicillins; Antibacterials for Systemic Use; Antiinfectives for Systemic Use; Beta-Lactam Antibacterials, Penicillins; Penicillins With Extended Spectrum; | Used to treat infections due to mecillinam-sensitive organisms such as urinary tract infections, salmonellosis and typhoid fever. |
| FDBD01329 | Tetrabenazine |
|
Adrenergic Uptake Inhibitors; Nervous System; CYP2D6 Inducers; CYP2D6 Inducers (strong); | Treatment of hyperkinetic movement disorders like chorea in Huntington's disease, hemiballismus, senile chorea, Tourette syndrome and other tic disorders, and tardive dyskinesia . |
| FDBD01331 | Celiprolol |
|
Antihypertensive Agents; Sympathomimetics; Adrenergic beta-1 Receptor Antagonists; Anti-Arrhythmia Agents; Vasodilator Agents; Cardiovascular System; Beta Blocking Agents, Selective; Beta Blocking Agents; CYP3A4 Inhibitors; Beta2 Agonists; | Celiprolol is indicated for the management of mild to moderate hypertension and effort-induced angina pectoris. |
| FDBD01332 | Febuxostat |
|
Gout Suppressants; Antihyperuricemic Agents; Musculo-Skeletal System; Preparations Inhibiting Uric Acid Production; | For the treatment of hyperuricemia in patients with gout. |
| FDBD01347 | Oritavancin |
|
Anti-Bacterial Agents; Antibacterials for Systemic Use; Antiinfectives for Systemic Use; Glycopeptide Antibacterials; | Investigated for use/treatment in bacterial infection and skin infections/disorders. |
178 ,
18
| FRAGNAME | PDBID | SIMILIRITY | XSCORE | SMILE | HAC |
|---|---|---|---|---|---|
| 4m3f_ligand_1_3.mol2 | 4m3f | 1 | -6.56 | CC(C)C | 4 |
| 3cvk_ligand_1_3.mol2 | 3cvk | 1 | -6.55 | CC(C)(C)C | 5 |
| 1usk_ligand_1_1.mol2 | 1usk | 1 | -6.54 | CC(C)C | 4 |
| 4hmk_ligand_1_1.mol2 | 4hmk | 1 | -6.53 | CC(C)C | 4 |
| 3f3e_ligand_1_1.mol2 | 3f3e | 1 | -6.51 | C(C)(C)C | 4 |
| 3gjd_ligand_1_1.mol2 | 3gjd | 1 | -6.50 | CC(C)C | 4 |
| 4hod_ligand_1_1.mol2 | 4hod | 1 | -6.48 | CC(C)C | 4 |
| 1yt7_ligand_1_7.mol2 | 1yt7 | 1 | -6.46 | CC(C)(C)C | 5 |
6909 ,
691
