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 |
|---|---|---|---|---|
| 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. |
| FDBD01392 | Lacosamide |
|
Anticonvulsants; Nervous System; Antiepileptics; | Lacosamide is indicated for adjunctive therapy for partial onset seizures in patients with epilepsy over 17 years old. Injection is indicated for short term use when oral therapy is not feasible. |
| FDBD01402 | Alvimopan |
|
Gastrointestinal Agents; Alimentary Tract and Metabolism; Drugs for Constipation; Peripheral Opioid Receptor Antagonists; | Used to accelerate the time to upper and lower gastrointestinal recovery following partial large or small bowel resection surgery with primary anastomosis. Also investigated for use in the treatment of pain (acute or chronic). |
| FDBD01475 | Capsaicin |
|
Anesthetics, Local; Antipruritics; Anesthetics; Sensory System Agents; Musculo-Skeletal System; Nervous System; Topical Products for Joint and Muscular Pain; Capsaicin and Similar Agents; Cytochrome P-450 CYP1A2 Inhibitors; Cytochrome P-450 CYP1A2 Inducers; CYP2E1 Inhibitors; CYP2E1 Inducers; CYP2E1 Inducers (strong); CYP3A4 Inhibitors; | The capsaicin 8% patch is indicated in the treatment of neuropathic pain associated with post-herpetic neuralgia. There are multiple topical capsaicin formulations available, including creams and solutions, indicated for temporary analgesia in muscle and join pain as well as neuropathic pain. |
| FDBD01539 | Tauroursodeoxycholic acid |
|
Antiviral Agents; Cholagogues and Choleretics; Cholesterol Absorption Inhibitors; | Used in the treatment of cholesterol gallstones. Tauroursodeoxycholic acid is also being investigated for use in several conditions such as Primary Biliary Cirrhosis (PBC), insulin resistance, amyloidosis, Cystic Fibrosis, Cholestasis, and Amyotrophic Lateral Sclerosis. |
| FDBD01623 | Articaine |
|
Anesthetics, Local; Anesthetics; Nervous System; Amides; | |
| FDBD01633 | Aliskiren |
|
Cardiovascular System; Agents Acting on the Renin-Angiotensin System; Renin-Inhibitors; CYP3A4 Inhibitors; | For the treatment of hypertension, to lower blood pressure. |
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
