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 |
|---|---|---|---|---|
| FDBD01594 | Gemeprost |
|
Prostaglandins; Genito Urinary System and Sex Hormones; Uterotonics; | |
| FDBD01618 | Cyamemazine |
|
Antipsychotic Agents; Nervous System; Psycholeptics; Phenothiazines With Aliphatic Side-Chain; | |
| FDBD01627 | Butriptyline |
|
Nervous System; Antidepressants; Psychoanaleptics; Non-Selective Monoamine Reuptake Inhibitors; | |
| FDBD01633 | Aliskiren |
|
Cardiovascular System; Agents Acting on the Renin-Angiotensin System; Renin-Inhibitors; CYP3A4 Inhibitors; | For the treatment of hypertension, to lower blood pressure. |
| FDBD01634 | Ledipasvir |
|
Antiviral Agents; Antiinfectives for Systemic Use; Direct Acting Antivirals; Antivirals for Systemic Use; | Ledipasvir in combination with sofosbuvir, or in combination with sofosbuvir and ribavirin, is indicated for the treatment of chronic hepatitis C (CHC) genotype 1 infection in adults. |
| FDBD01663 | Olodaterol |
|
Bronchodilator Agents; Adrenergic beta-1 Receptor Agonists; Respiratory System; Drugs for Obstructive Airway Diseases; Selective Beta-2-Adrenoreceptor Agonists; Adrenergics, Inhalants; Cytochrome P-450 CYP2C9 Inhibitors; Cytochrome P-450 CYP2C8 Inhibitors; Cytochrome P-450 CYP2C9 Inducers; Cytochrome P-450 CYP2C8 Inducers; Beta2 Agonists; | Olodaterol is indicated for use in chronic obstructive pulmonary disease (COPD), including chronic bronchitis and/or emphysema. It is not indicated for the treatment of acute exacerbations of COPD or for the treatment of asthma. |
| FDBD01681 | Elvitegravir |
|
Antiinfectives for Systemic Use; Direct Acting Antivirals; Antivirals for Systemic Use; CYP3A4 Inhibitors; | Elvitegravir in combination with an HIV protease inhibitor coadministered with ritonavir and with other antiretroviral drug(s) is indicated for the treatment of HIV-1 infection in antiretroviral treatment-experienced adults. |
| FDBD01682 | Daclatasvir |
|
Antiinfectives for Systemic Use; Direct Acting Antivirals; Antivirals for Systemic Use; CYP3A4 Inhibitors; | Daklinza is used to treat patients who have chronic hepatitis C virus (HCV) genotype 3 infection. Daklinza is typically taken in conjunction with sofosbuvir. (2). |
| FDBD01690 | Stiripentol |
|
Nervous System; Antiepileptics; | |
| FDBD01731 | Dasabuvir |
|
Antiinfectives for Systemic Use; Direct Acting Antivirals; Antivirals for Systemic Use; | Dasabuvir, in combination with ombitasvir, paritaprevir, and ritonavir (as Viekira Pak) is indicated for the treatment of patients with genotype 1 chronic hepatitis C virus (HCV) infection including those with compensated cirrhosis. |
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
