Common name
N-ethylbutanamide
IUPAC name
N-ethylbutanamide
SMILES
O=C(NCC)CCC
Common name
N-ethylbutanamide
IUPAC name
N-ethylbutanamide
SMILES
O=C(NCC)CCC
INCHI
InChI=1S/C6H13NO/c1-3-5-6(8)7-4-2/h3-5H2,1-2H3,(H,7,8)
FORMULA
C6H13NO
Common name
N-ethylbutanamide
IUPAC name
N-ethylbutanamide
Molecular weight
115.174
clogP
0.759
clogS
-1.813
Frequency
0.0010
HBond Acceptor
1
HBond Donor
1
Total PolarSurface Area
29.1
Number of Rings
0
Rotatable Bond
3
| Drug ID | Common name | Structure CAS | Compound class | Therapeutic area |
|---|---|---|---|---|
| FDBD00762 | Bimatoprost |
|
Antihypertensive Agents; Anti-glaucoma Agents; Ophthalmologicals; Sensory Organs; Antiglaucoma Preparations and Miotics; Prostaglandin Analogues; | For the reduction of elevated intraocular pressure in patients with open angle glaucoma or ocular hypertension who are intolerant of other intraocular pressure lowering medications or insufficiently responsive (failed to achieve target IOP determined after multiple measurements over time) to another intraocular pressure lowering medication. |
| FDBD01640 | Eliglustat |
|
Enzyme Inhibitors; Alimentary Tract and Metabolism; Various Alimentary Tract and Metabolism Products; CYP2D6 Inducers; CYP2D6 Inducers (strong); CYP3A4 Inhibitors; | Eliglustat is indicated for the long-term treatment of type 1 Gaucher disease in patients who are CYP2D6 extensive metabolizers (EMs), intermediate metabolizers (IMs), or poor metabolizers (PMs) in treatment-naive and treatment-experienced adult patients. |
| FDBD01652 | Cobicistat |
|
Anti-HIV Agents; Antiinfectives for Systemic Use; Direct Acting Antivirals; Antivirals for Systemic Use; Cytochrome P-450 CYP3A Inhibitors; CYP2D6 Inducers; CYP2D6 Inducers (strong); | Cobicistat is a CYP3A inhibitor indicated to increase systemic exposure of atazanavir or darunavir (once daily dosing regimen) in combination with other antiretroviral agents in the treatment of HIV-1 infection. It is not interchangeable with ritonavir to increase systemic exposure of darunavir 600 mg twice daily, fosamprenavir, saquinavir, or tipranavir due to lack of exposure data. The use of cobicistat is not recommended with darunavir 600 mg twice daily, fosamprenavir, saquinavir or tipranavir. Complex or unknown mechanisms of drug interactions preclude extrapolation of ritonavir drug interactions to certain cobicistat interactions. Cobicistat and ritonavir when administered with either atazanavir or darunavir may result in different drug interactions when used with concomitant medications. |
3 ,
1
| FRAGNAME | PDBID | SIMILIRITY | XSCORE | SMILE | HAC |
|---|---|---|---|---|---|
| 1kvo_ligand_6_2047.mol2 | 1kvo | 1 | -6.99 | CCCC(=O)NC(C)C | 9 |
| 3ggv_ligand_5_2380.mol2 | 3ggv | 1 | -6.96 | C(C(C)(C)C)C(=O)NC(C)C | 11 |
| 1j1a_ligand_6_4543.mol2 | 1j1a | 1 | -6.91 | CC(C)NC(=O)CCC | 9 |
| 2o4k_ligand_4_455.mol2 | 2o4k | 1 | -6.83 | C(C)(C)(C)CC(=O)NCC | 10 |
| 3ekw_ligand_4_455.mol2 | 3ekw | 1 | -6.81 | C(C)NC(=O)CC(C)(C)C | 10 |
| 3eky_ligand_4_455.mol2 | 3eky | 1 | -6.80 | C(C)NC(=O)CC(C)(C)C | 10 |
| 3el9_ligand_4_455.mol2 | 3el9 | 1 | -6.77 | C(C(=O)NCC)C(C)(C)C | 10 |
| 2aqu_ligand_4_455.mol2 | 2aqu | 1 | -6.76 | C(C(=O)NCC)C(C)(C)C | 10 |
| 3el1_ligand_4_455.mol2 | 3el1 | 1 | -6.75 | C(C(=O)NCC)C(C)(C)C | 10 |
291 ,
30
