Common name
furan
IUPAC name
furan
SMILES
o1cccc1
Common name
furan
IUPAC name
furan
SMILES
o1cccc1
INCHI
InChI=1S/C4H4O/c1-2-4-5-3-1/h1-4H
FORMULA
C4H4O
Common name
furan
IUPAC name
furan
Molecular weight
68.074
clogP
1.607
clogS
-0.855
Frequency
0.0079
HBond Acceptor
1
HBond Donor
0
Total PolarSurface Area
13.14
Number of Rings
1
Rotatable Bond
0
| Drug ID | Common name | Structure CAS | Compound class | Therapeutic area |
|---|---|---|---|---|
| FDBD00332 | Prazosin |
|
Antihypertensive Agents; Adrenergic alpha-1 Receptor Antagonists; Adrenergic alpha-Antagonists; Cardiovascular System; Antiadrenergic Agents, Peripherally Acting; Alpha-Adrenoreceptor Antagonists and Diuretics; | For treatment of hypertension, symptomatic benign prostatic hyperplasia, and severe congestive heart failure. May also be used alone or in combination with β-blockers in the preoperative management of signs and symptoms of pheochromocytoma. |
| FDBD00514 | Stavudine |
|
Anti-HIV Agents; Antimetabolites; Reverse Transcriptase Inhibitors; Antiinfectives for Systemic Use; Direct Acting Antivirals; Antivirals for Systemic Use; Nucleoside and Nucleotide Reverse Transcriptase Inhibitors; | For the treatment of human immunovirus (HIV) infections. |
| FDBD00560 | Furosemide |
|
Diuretics; Sodium Potassium Chloride Symporter Inhibitors; Cardiovascular System; Sulfonamides, Plain; High-Ceiling Diuretics; High-Ceiling Diuretics and Potassium-Sparing Agents; | For the treatment of edema associated with congestive heart failure, cirrhosis of the liver, and renal disease, including the nephrotic syndrome. Also for the treatment of hypertension alone or in combination with other antihypertensive agents. |
| FDBD00723 | Ranitidine |
|
Anti-Ulcer Agents; Alimentary Tract and Metabolism; Drugs for Peptic Ulcer and Gastro-Oesophageal Reflux Disease (Gord); Drugs for Acid Related Disorders; Cytochrome P-450 CYP1A2 Inhibitors; Cytochrome P-450 CYP1A2 Inducers; Cytochrome P-450 CYP2C19 Inducers; CYP2D6 Inducers; CYP2D6 Inducers (strong); CYP3A4 Inhibitors; H2 Antagonists; Combined Inhibitors of CYP3A4 and P-glycoprotein; | Used in the treatment of peptic ulcer disease (PUD), dyspepsia, stress ulcer prophylaxis, and gastroesophageal reflux disease (GERD). |
| FDBD00961 | Cefuroxime |
|
Anti-Bacterial Agents; Cephalosporins; Antibiotics; Ophthalmologicals; Sensory Organs; Antibacterials for Systemic Use; Antiinfectives for Systemic Use; Antiinfectives; Antibacterials for Intramammary Use; Second-Generation Cephalosporins; | For the treatment of many different types of bacterial infections such as bronchitis, sinusitis, tonsillitis, ear infections, skin infections, gonorrhea, and urinary tract infections. |
| FDBD01065 | Dantrolene |
|
Muscle Relaxants, Central; Musculo-Skeletal System; Muscle Relaxants; Dantrolene and Derivatives; Muscle Relaxants, Directly Acting Agents; CYP3A4 Inhibitors; | For use along with appropriate supportive measures for the management of the fulminant hypermetabolism of skeletal muscle characteristic of malignant hyperthermia crises in patients of all ages. Also used preoperatively, and sometimes postoperatively, to prevent or attenuate the development of clinical and laboratory signs of malignant hyperthermia in individuals judged to be malignant hyperthermia susceptible. |
| FDBD01101 | Lapatinib |
|
Antineoplastic Agents; Protein Kinase Inhibitors; Antineoplastic and Immunomodulating Agents; Cytochrome P-450 CYP2C8 Inhibitors; Cytochrome P-450 CYP2C19 Inducers; Cytochrome P-450 CYP2C8 Inducers; CYP3A4 Inhibitors; Combined Inhibitors of CYP3A4 and P-glycoprotein; | Indicated in combination with capecitabine for the treatment of patients with advanced or metastatic breast cancer whose tumors overexpress the human epidermal receptor type 2 (HER2) protein and who have received prior therapy including an anthracycline, a taxane, and trastuzuma. |
| FDBD01567 | Fluticasone furoate |
|
Fluticasone furoate nasal spray is indicated for the treatment of the symptoms of seasonal and perennial allergic rhinitis in patients aged 2 years and older. | |
| FDBD02241 | bioethanomethrin |
|
Insecticide | Insecticide |
| FDBD02244 | bromethrin |
|
Insecticide | Insecticide |
23 ,
3
| FRAGNAME | PDBID | SIMILIRITY | XSCORE | SMILE | HAC |
|---|---|---|---|---|---|
| 2uy5_ligand_frag_0.mol2 | 2uy5 | 1 | -5.97 | c1ccoc1 | 5 |
| 4bo9_ligand_frag_5.mol2 | 4bo9 | 1 | -5.82 | c1occc1 | 5 |
| 4bid_ligand_frag_4.mol2 | 4bid | 1 | -5.80 | o1cccc1 | 5 |
| 2xn5_ligand_frag_4.mol2 | 2xn5 | 1 | -5.78 | c1ccco1 | 5 |
| 4oc3_ligand_frag_10.mol2 | 4oc3 | 1 | -5.76 | c1ccco1 | 5 |
| 2psv_ligand_frag_12.mol2 | 2psv | 1 | -5.72 | c1occc1 | 5 |
110 ,
12
