Common name
formamide
IUPAC name
formamide
SMILES
C(=O)N
Common name
formamide
IUPAC name
formamide
SMILES
C(=O)N
INCHI
InChI=1S/CH3NO/c2-1-3/h1H,(H2,2,3)
FORMULA
CH3NO
Common name
formamide
IUPAC name
formamide
Molecular weight
45.041
clogP
-0.474
clogS
0.761
Frequency
0.1240
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 |
|---|---|---|---|---|
| FDBD00907 | Tocainide |
|
Anti-Arrhythmia Agents; Voltage-Gated Sodium Channel Blockers; Sodium Channel Blockers; Cardiovascular System; Antiarrhythmics, Class I and Iii; Cardiac Therapy; Antiarrythmics, Class I and Iii; Antiarrhythmics, Class Ib; Cytochrome P-450 CYP1A2 Inhibitors; Cytochrome P-450 CYP1A2 Inducers; | For the treatment of documented ventricular arrhythmias, such as sustained ventricular tachycardia, that, in the judgment of the physician, are life-threatening. |
| FDBD00911 | Amoxicillin |
|
Anti-Bacterial Agents; Penicillins; Genito Urinary System and Sex Hormones; Alimentary Tract and Metabolism; Antibacterials for Systemic Use; Antiinfectives for Systemic Use; Antibacterials for Intramammary Use; Drugs for Peptic Ulcer and Gastro-Oesophageal Reflux Disease (Gord); Drugs for Acid Related Disorders; Beta-Lactam Antibacterials, Penicillins; Beta-Lactam Antibacterials, Penicillins, for Intramammary Use; Penicillins With Extended Spectrum; Antiinfectives and Antiseptics for Intrauterine Use; Antibacterials; Cytochrome P-450 CYP2C19 Inducers; | For the treatment of infections of the ear, nose, and throat, the genitourinary tract, the skin and skin structure, and the lower respiratory tract due to susceptible (only b-lactamase-negative) strains of . |
| FDBD00912 | Azlocillin |
|
Anti-Bacterial Agents; Penicillins; Antibacterials for Systemic Use; Antiinfectives for Systemic Use; Beta-Lactam Antibacterials, Penicillins; Penicillins With Extended Spectrum; | For the treatment of infections caused by . |
| FDBD00918 | Glipizide |
|
Hypoglycemic Agents; Drugs Used in Diabetes; Alimentary Tract and Metabolism; Blood Glucose Lowering Drugs, Excl. Insulins; Sulfonylureas; Cytochrome P-450 CYP2C9 Inhibitors; Cytochrome P-450 CYP2C9 Inducers; CYP3A4 Inhibitors; | For use as an adjunct to diet for the control of hyperglycemia and its associated symptomatology in patients with non-insulin-dependent diabetes mellitus (NIDDM; type II), formerly known as maturity-onset diabetes, after an adequate trial of dietary therapy has proved unsatisfactory. |
| FDBD00923 | Atazanavir |
|
Anti-HIV Agents; Protease Inhibitors; HIV Protease Inhibitors; Antiinfectives for Systemic Use; Direct Acting Antivirals; Antivirals for Systemic Use; Cytochrome P-450 CYP2C9 Inhibitors; Cytochrome P-450 CYP2C9 Inducers; CYP3A4 Inhibitors; Combined Inhibitors of CYP3A4 and P-glycoprotein; | Used in combination with other antiretroviral agents for the treatment of HIV-1 infection, as well as postexposure prophylaxis of HIV infection in individuals who have had occupational or nonoccupational exposure to potentially infectious body fluids of a person known to be infected with HIV when that exposure represents a substantial risk for HIV transmission. |
| FDBD00927 | Atorvastatin |
|
Anticholesteremic Agents; Hydroxymethylglutaryl-CoA Reductase Inhibitors; Dipeptidyl-Peptidase IV Inhibitors; HMG CoA Reductase Inhibitors; Lipid Modifying Agents, Plain; Lipid Modifying Agents; Cardiovascular System; Cytochrome P-450 CYP2C9 Inhibitors; Cytochrome P-450 CYP2C8 Inhibitors; Cytochrome P-450 CYP2C9 Inducers; Cytochrome P-450 CYP2C19 Inducers; Cytochrome P-450 CYP2C8 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; | |
| FDBD00933 | Orlistat |
|
Enzyme Inhibitors; Anti-Obesity Agents; Alimentary Tract and Metabolism; Antiobesity Preparations, Excl. Diet Products; Peripherally Acting Antiobesity Products; CYP3A4 Inhibitors; | For obesity management including weight loss and weight maintenance when used in conjunction with a reduced-calorie diet. Also used to reduce the risk for weight regain after prior weight loss. Use of orlistat is pending revision due to reports of liver-related adverse events. |
| FDBD00947 | Leflunomide |
|
Antirheumatic Agents; Immunosuppressive Agents; Enzyme Inhibitors; Adjuvants; Antineoplastic and Immunomodulating Agents; Selective Immunosuppressants; Cytochrome P-450 CYP1A2 Inhibitors; Cytochrome P-450 CYP2C9 Inhibitors; Cytochrome P-450 CYP1A2 Inducers; Cytochrome P-450 CYP2C9 Inducers; | For the management of the signs and symptoms of active rheumatoid arthritis (RA) to improve physical function and to slow the progression of structural damage associated with the disease. Has also been used for the prevention of acute and chronic rejection in recipients of solid organ trasnplants and is designated by the FDA as an orphan drug for this use. |
| FDBD00960 | Colistimethate |
|
Anti-Bacterial Agents; | For the treatment of acute or chronic infections due to sensitive strains of certain gram-negative bacilli, particularly . |
| FDBD00975 | Dutasteride |
|
Adrenergic alpha-Antagonists; 5-alpha Reductase Inhibitors; Genito Urinary System and Sex Hormones; Drugs Used in Benign Prostatic Hypertrophy; Testosterone-5-Alpha Reductase Inhibitors; Urological Agents; CYP3A4 Inhibitors; | For the treatment of symptomatic benign prostatic hyperplasia (BPH) in men with an enlarged prostate gland to improve symptoms, and reduce the risk of acute urinary retention and the need for surgery. |
361 ,
37
| FRAGNAME | PDBID | SIMILIRITY | XSCORE | SMILE | HAC |
|---|---|---|---|---|---|
| 2vl1_ligand_frag_1.mol2 | 2vl1 | 1 | -5.59 | C(=O)N | 3 |
| 1wdn_ligand_frag_3.mol2 | 1wdn | 1 | -5.56 | C(=O)N | 3 |
| 1db5_ligand_frag_4.mol2 | 1db5 | 1 | -5.51 | C(=O)N | 3 |
| 2ntf_ligand_frag_10.mol2 | 2ntf | 1 | -5.51 | C(=O)N | 3 |
| 4pml_ligand_frag_1.mol2 | 4pml | 1 | -5.51 | C(=O)N | 3 |
| 4xmb_ligand_frag_8.mol2 | 4xmb | 1 | -5.51 | C(=O)N | 3 |
| 4tjy_ligand_frag_1.mol2 | 4tjy | 1 | -5.50 | C(=O)N | 3 |
| 4f1q_ligand_frag_4.mol2 | 4f1q | 1 | -5.49 | C(=O)N | 3 |
4319 ,
432
