Common name
(2R,3R,4R)-4-methoxy-2,4-dimethyl-tetrahydropyran-3-ol
IUPAC name
(2R,3R,4R)-4-methoxy-2,4-dimethyl-tetrahydropyran-3-ol
SMILES
O(C)C1(CCOC(C1O)C)C
Common name
(2R,3R,4R)-4-methoxy-2,4-dimethyl-tetrahydropyran-3-ol
IUPAC name
(2R,3R,4R)-4-methoxy-2,4-dimethyl-tetrahydropyran-3-ol
SMILES
O(C)C1(CCOC(C1O)C)C
INCHI
InChI=1S/C8H16O3/c1-6-7(9)8(2,10-3)4-5-11-6/h6-7,9H,4-5H2,1-3H3/t6-,7-,8-/m1/s1
FORMULA
C8H16O3
Common name
(2R,3R,4R)-4-methoxy-2,4-dimethyl-tetrahydropyran-3-ol
IUPAC name
(2R,3R,4R)-4-methoxy-2,4-dimethyl-tetrahydropyran-3-ol
Molecular weight
160.211
clogP
0.928
clogS
-0.852
Frequency
0.0014
HBond Acceptor
3
HBond Donor
1
Total PolarSurface Area
38.69
Number of Rings
1
Rotatable Bond
1
| Drug ID | Common name | Structure CAS | Compound class | Therapeutic area |
|---|---|---|---|---|
| FDBD00087 | Erythromycin |
|
Gastrointestinal Agents; Enzyme Inhibitors; Anti-Bacterial Agents; Protein Synthesis Inhibitors; Macrolides; Anti-Acne Preparations; Antibiotics; Ophthalmologicals; Sensory Organs; Antibacterials for Systemic Use; Antiinfectives for Systemic Use; Dermatologicals; Anti-Acne Preparations for Topical Use; Antiinfectives; Antiinfectives for Treatment of Acne; Macrolides, Lincosamides and Streptogramins; Macrolides and Lincosamides for Intramammary Use; Antibacterials for Intramammary Use; Cytochrome P-450 CYP1A2 Inhibitors; Cytochrome P-450 CYP1A2 Inducers; Cytochrome P-450 CYP2B6 Inducers; Cytochrome P-450 CYP2B6 Inhibitors; CYP2B6 Inhibitors (strong); CYP3A4 Inhibitors; Combined Inhibitors of CYP3A4 and P-glycoprotein; | For use in the treatment of infections caused by susceptible strains of microorganisms in the following diseases: respiratory tract infections (upper and lower) of mild to moderate degree, pertussis (whooping cough), as adjunct to antitoxin in infections due to . |
| FDBD00095 | Azithromycin |
|
Anti-Bacterial Agents; Macrolides; Antibiotics; Ophthalmologicals; Sensory Organs; Antibacterials for Systemic Use; Antiinfectives for Systemic Use; Antiinfectives; Macrolides, Lincosamides and Streptogramins; Cytochrome P-450 CYP1A2 Inhibitors; Cytochrome P-450 CYP1A2 Inducers; CYP2A6 Inhibitors; CYP2A6 Inhibitors (strong); CYP2A6 Inhibitors (moderate); CYP2A6 Inducers; CYP2A6 Inducers (strong); CYP3A4 Inhibitors; Combined Inhibitors of CYP3A4 and P-glycoprotein; | For the treatment of patients with mild to moderate infections caused by susceptible strains of the designated microorganisms in the specific conditions: . |
| FDBD00641 | Roxithromycin |
|
Anti-Bacterial Agents; Macrolides; Antibacterials for Systemic Use; Antiinfectives for Systemic Use; Macrolides, Lincosamides and Streptogramins; Cytochrome P-450 CYP1A2 Inhibitors; Cytochrome P-450 CYP1A2 Inducers; Cytochrome P-450 CYP2B6 Inducers; Cytochrome P-450 CYP2B6 Inhibitors; CYP2B6 Inhibitors (strong); CYP3A4 Inhibitors; | Used to treat respiratory tract, urinary and soft tissue infections. |
| FDBD01057 | Clarithromycin |
|
Anti-Bacterial Agents; Protein Synthesis Inhibitors; Macrolides; Alimentary Tract and Metabolism; Antibacterials for Systemic Use; Antiinfectives for Systemic Use; Macrolides, Lincosamides and Streptogramins; 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 CYP3A Inhibitors; Cytochrome P-450 CYP2C19 Inducers; CYP3A4 Inhibitors; Combined Inhibitors of CYP3A4 and P-glycoprotein; | An alternative medication for the treatment of acute otitis media caused by . |
4 ,
1
| FRAGNAME | PDBID | SIMILIRITY | XSCORE | SMILE | HAC |
|---|---|---|---|---|---|
| 2iyf_ligand_1_6.mol2 | 2iyf | 1 | -5.30 | C1C[C@@]([C@H]([C@@H](O1)C)O)(C)OC | 11 |
| 3jzj_ligand_frag_1.mol2 | 3jzj | 0.965517 | -6.67 | C1[C@@H]([C@H](C[C@H](O1)C)O)O | 9 |
| 1lf9_ligand_frag_1.mol2 | 1lf9 | 0.965517 | -6.66 | C1[C@@H]([C@H](C[C@H](O1)C)O)O | 9 |
| 3jyr_ligand_frag_1.mol2 | 3jyr | 0.965517 | -6.58 | C1[C@@H]([C@H](C[C@H](O1)C)O)O | 9 |
| 2x2i_ligand_frag_1.mol2 | 2x2i | 0.965517 | -6.51 | C1[C@@H]([C@H](C[C@H](O1)C)O)O | 9 |
| 4b9z_ligand_frag_1.mol2 | 4b9z | 0.965517 | -6.50 | C1[C@@H]([C@H](C[C@H](O1)C)O)O | 9 |
| 4ccd_ligand.mol2 | 4ccd | 0.965517 | -6.47 | C1C[C@H]([C@H]([C@@H](CO)O1)O)O | 11 |
| 2zq0_ligand_frag_1.mol2 | 2zq0 | 0.965517 | -6.46 | C1[C@@H]([C@H](C[C@H](O1)C)O)O | 9 |
| 4uac_ligand_frag_1.mol2 | 4uac | 0.965517 | -6.46 | C1[C@@H]([C@H](C[C@H](O1)C)O)O | 9 |
| 1gah_ligand_frag_1.mol2 | 1gah | 0.965517 | -6.45 | C1[C@@H]([C@H](C[C@H](O1)C)O)O | 9 |
102 ,
11
