Common name
acetamide
IUPAC name
acetamide
SMILES
NC(=O)C
Common name
acetamide
IUPAC name
acetamide
SMILES
NC(=O)C
INCHI
InChI=1S/C2H5NO/c1-2(3)4/h1H3,(H2,3,4)
FORMULA
C2H5NO
Common name
acetamide
IUPAC name
acetamide
Molecular weight
59.067
clogP
-0.723
clogS
0.321
Frequency
0.0460
HBond Acceptor
1
HBond Donor
2
Total PolarSurface Area
43.09
Number of Rings
0
Rotatable Bond
0
| Drug ID | Common name | Structure CAS | Compound class | Therapeutic area |
|---|---|---|---|---|
| FDBD01174 | Colchicine |
|
Gout Suppressants; Tubulin Modulators; Musculo-Skeletal System; Preparations With No Effect on Uric Acid Metabolism; Cytochrome P-450 CYP2C9 Inhibitors; Cytochrome P-450 CYP2C8 Inhibitors; Cytochrome P-450 CYP2C9 Inducers; Cytochrome P-450 CYP2C8 Inducers; Cytochrome P-450 CYP2B6 Inducers; Cytochrome P-450 CYP2B6 Inhibitors; CYP2B6 Inhibitors (strong); CYP2E1 Inhibitors; CYP2E1 Inducers; CYP2E1 Inducers (strong); CYP3A4 Inhibitors; Combined Inhibitors of CYP3A4 and P-glycoprotein; | For treatment and relief of pain in attacks of acute gouty arthritis. |
| FDBD01231 | Metrizamide |
|
Contrast Media; X-Ray Contrast Media, Iodinated; Watersoluble, Nephrotropic, Low Osmolar X-Ray Contrast Media; | Metrizamide is used for lumbar, thoracic, cervical, and total columnar myelography to determine the presence of abnormalities in the spinal column, spinal canal, and central nervous system (CNS) as well as for cisternography by direct injection using standard radiologic techniques to visualize the basal cistern of the brain. For computerized tomography (CT) of the intracranial subarachnoid spaces and for ventriculography by direct injection using standard radiologic techniques to visualize the cerebral ventricles. Also used in pediatric angiocardiography to visualize lesions or malformations of the heart and obstructions or anomalies of the major thoracic vessels. Also used in adult peripheral arteriography to visualize specific regions of the vascular system and blood flow in such areas to help in the diagnosis and evaluation of neoplasms (known or suspected) or vascular diseases (congenital or acquired) that may cause changes in normal vascular anatomy or physiology. Metrizamide is also indicated in adults for intravenous digital arteriography of head and neck. |
| 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. |
| FDBD01274 | Isopropamide |
|
Alimentary Tract and Metabolism; Drugs for Functional Gastrointestinal Disorders; Synthetic Anticholinergics, Quaternary Ammonium Compounds; | For the treatment of a wide range of gastrointestinal disorders, including such conditions as peptic ulcer, gastritis, hyperchlorhydria, functional diarrhea, irritable or spastic colon, pyloroduodenal irritability, pylorospasm, acute nonspecific gastroenteritis, biliary dyskinesia and chronic cholelithiasis, duodenitis, gastrointestinal spasm; it may also be used to treat genitourinary spasm. |
| FDBD01287 | Vorinostat |
|
Antineoplastic Agents; Histone Deacetylase Inhibitors; Antineoplastic and Immunomodulating Agents; | For the treatment of cutaneous manifestations in patients with cutaneous T-cell lymphoma who have progressive, persistent or recurrent disease on or following two systemic therapies. |
| FDBD01317 | Iodipamide |
|
Contrast Media; X-Ray Contrast Media, Iodinated; Watersoluble, Hepatotropic X-Ray Contrast Media; | Iodipamide is used as a contrast agent for cholecystography and intravenous cholangiography. |
| FDBD01343 | Vapreotide |
|
Antineoplastic Agents; Analgesics; Pituitary and Hypothalamic Hormones and Analogues; Systemic Hormonal Preparations, Excl. Sex Hormones and Insulins; Hypothalamic Hormones; Somatostatin and Analogues; | For the treatment of esophageal variceal bleeding in patients with cirrhotic liver disease and has also shown efficacy in the treatment of patients with AIDS-related diarrhea. |
| 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. |
| FDBD01369 | Telaprevir |
|
Protease Inhibitors; Antiinfectives for Systemic Use; Direct Acting Antivirals; Antivirals for Systemic Use; CYP3A4 Inhibitors; | Treating chronic hepatitis C virus (genotype 1) infection in patients with compensated liver (due to liver diseases like cirrhosis) that are treatment naive or have failed therapy with interferons (either null or partial responders and treatment relapsers). |
| FDBD01371 | Apremilast |
|
Anti-Inflammatory Agents, Non-Steroidal; Immunosuppressive Agents; Antineoplastic and Immunomodulating Agents; Selective Immunosuppressants; CYP3A4 Inhibitors; | Investigated for use/treatment in psoriasis and psoriatic disorders. |
134 ,
14
| FRAGNAME | PDBID | SIMILIRITY | XSCORE | SMILE | HAC |
|---|---|---|---|---|---|
| 1wdn_ligand_1_2.mol2 | 1wdn | 1 | -5.99 | CC(=O)N | 4 |
| 4g4p_ligand_1_2.mol2 | 4g4p | 1 | -5.96 | C(=O)(N)C | 4 |
| 4kqp_ligand_1_2.mol2 | 4kqp | 1 | -5.96 | CC(=O)N | 4 |
| 1jak_ligand_frag_2.mol2 | 1jak | 1 | -5.94 | C(=O)(N)C | 4 |
| 2ntf_ligand_1_9.mol2 | 2ntf | 1 | -5.91 | C(=O)(N)C | 4 |
| 2jiw_ligand_frag_2.mol2 | 2jiw | 1 | -5.89 | NC(=O)C | 4 |
2564 ,
257
