Common name
propanamide
IUPAC name
propanamide
SMILES
CCC(=O)N
Common name
propanamide
IUPAC name
propanamide
SMILES
CCC(=O)N
INCHI
InChI=1S/C3H7NO/c1-2-3(4)5/h2H2,1H3,(H2,4,5)
FORMULA
C3H7NO
Common name
propanamide
IUPAC name
propanamide
Molecular weight
73.094
clogP
-0.459
clogS
-0.125
Frequency
0.0148
HBond Acceptor
1
HBond Donor
2
Total PolarSurface Area
43.09
Number of Rings
0
Rotatable Bond
1
| Drug ID | Common name | Structure CAS | Compound class | Therapeutic area |
|---|---|---|---|---|
| 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. |
| FDBD01656 | Tasimelteon |
|
Hypnotics and Sedatives; Nervous System; Psycholeptics; Melatonin Receptor Agonists; | Tasimelteon is indicated for the treatment of Non-24-Hour Sleep-Wake Disorder (N24HSWD). |
| FDBD01692 | Zucapsaicin |
|
Musculo-Skeletal System; Topical Products for Joint and Muscular Pain; Capsaicin and Similar Agents; | |
| FDBD01768 | Imidafenacin |
|
; | |
| FDBD02373 | napropamide |
|
Herbicide | Herbicide |
| FDBD02374 | napropamide-M |
|
Herbicide | Herbicide |
| FDBD02381 | tiafenacil |
|
Herbicide | Herbicide |
| FDBD02384 | clomeprop |
|
Herbicide | Herbicide |
| FDBD02387 | erlujixiancaoan |
|
Herbicide | Herbicide |
43 ,
5
| FRAGNAME | PDBID | SIMILIRITY | XSCORE | SMILE | HAC |
|---|---|---|---|---|---|
| 2j62_ligand_1_0.mol2 | 2j62 | 1 | -6.47 | CC(C)C(=O)N | 6 |
| 3g0i_ligand_3_6.mol2 | 3g0i | 1 | -6.41 | CC(C)C(=O)N | 6 |
| 1wdn_ligand_2_2.mol2 | 1wdn | 1 | -6.30 | C(C(=O)N)C | 5 |
| 5cal_ligand_2_20.mol2 | 5cal | 1 | -6.30 | C(=O)(N)C(C)(C)C | 7 |
| 4g4p_ligand_2_2.mol2 | 4g4p | 1 | -6.20 | C(=O)(N)CC | 5 |
| 4kqp_ligand_2_2.mol2 | 4kqp | 1 | -6.20 | CCC(=O)N | 5 |
| 2qpj_ligand_3_108.mol2 | 2qpj | 1 | -6.18 | C(=O)(N)C(C)C | 6 |
| 3m6p_ligand_3_45.mol2 | 3m6p | 1 | -6.17 | C(C(=O)N)(C)C | 6 |
| 4jt8_ligand_1_0.mol2 | 4jt8 | 1 | -6.17 | CC(C)(C)C(=O)N | 7 |
1619 ,
162
