Common name
3-methylpyridine
IUPAC name
3-methylpyridine
SMILES
n1cc(ccc1)C
Common name
3-methylpyridine
IUPAC name
3-methylpyridine
SMILES
n1cc(ccc1)C
INCHI
InChI=1S/C6H7N/c1-6-3-2-4-7-5-6/h2-5H,1H3
FORMULA
C6H7N
Common name
3-methylpyridine
IUPAC name
3-methylpyridine
Molecular weight
93.126
clogP
1.934
clogS
-1.714
Frequency
0.0024
HBond Acceptor
1
HBond Donor
0
Total PolarSurface Area
12.89
Number of Rings
1
Rotatable Bond
0
| Drug ID | Common name | Structure CAS | Compound class | Therapeutic area |
|---|---|---|---|---|
| FDBD00112 | Indinavir |
|
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; Cytochrome P-450 CYP2C19 Inducers; CYP2D6 Inducers; CYP2D6 Inducers (strong); CYP3A4 Inhibitors; Combined Inhibitors of CYP3A4 and P-glycoprotein; | Indinavir is an antiretroviral drug for the treatment of HIV infection. |
| FDBD00323 | Lansoprazole |
|
Enzyme Inhibitors; Anti-Ulcer Agents; Proton Pump Inhibitors; Anti-Infective 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 CYP2C9 Inhibitors; Cytochrome P-450 CYP1A2 Inducers; Cytochrome P-450 CYP2C8 Inhibitors; Cytochrome P-450 CYP2C9 Inducers; Cytochrome P-450 CYP2C19 Inducers; Cytochrome P-450 CYP2C8 Inducers; CYP2D6 Inducers; CYP2D6 Inducers (strong); CYP3A4 Inhibitors; Combined Inhibitors of CYP3A4 and P-glycoprotein; | For the treatment of acid-reflux disorders (GERD), peptic ulcer disease, H. pylori eradication, and prevention of gastroinetestinal bleeds with NSAID use. |
| FDBD00744 | Risedronate |
|
Bone Density Conservation Agents; Calcium Channel Blockers; Antihypocalcemic Agents; Antiresorptives; Bisphosphonates; Musculo-Skeletal System; Drugs Affecting Bone Structure and Mineralization; Drugs for Treatment of Bone Diseases; | For the treatment of Paget's disease of the bone (osteitis deformans), postmenopausal and glucocorticoid-induced osteoporosis. |
| FDBD00978 | Rabeprazole |
|
Enzyme Inhibitors; Anti-Ulcer Agents; Proton Pump Inhibitors; Alimentary Tract and Metabolism; Musculo-Skeletal System; Drugs for Peptic Ulcer and Gastro-Oesophageal Reflux Disease (Gord); Drugs for Acid Related Disorders; Antiinflammatory and Antirheumatic Products, Non-Steroids; Antiinflammatory and Antirheumatic Products; Antiinflammatory Preparations, Non-Steroids for Topical Use; Topical Products for Joint and Muscular Pain; Butylpyrazolidines; Cytochrome P-450 CYP1A2 Inhibitors; Cytochrome P-450 CYP2C9 Inhibitors; Cytochrome P-450 CYP1A2 Inducers; Cytochrome P-450 CYP2C9 Inducers; Cytochrome P-450 CYP2C19 Inducers; CYP2D6 Inducers; CYP2D6 Inducers (strong); CYP3A4 Inhibitors; | For the treatment of acid-reflux disorders (GERD), peptic ulcer disease, H. pylori eradication, and prevention of gastroinetestinal bleeds with NSAID use. |
| FDBD01145 | Forasartan |
|
Angiotensin Receptor Antagonists; Angiotensin II Receptor Antagonists; | For the treatment of hypertension. |
| FDBD02346 | pyrifluquinazon |
|
Insecticide | Insecticide |
| FDBD03193 | pyrifenox |
|
Fungicide | Fungicide |
7 ,
1
| FRAGNAME | PDBID | SIMILIRITY | XSCORE | SMILE | HAC |
|---|---|---|---|---|---|
| 3ftz_ligand_1_2.mol2 | 3ftz | 1 | -6.67 | c1(cccnc1)C | 7 |
| 3ftv_ligand_1_1.mol2 | 3ftv | 1 | -6.66 | n1cc(ccc1)C | 7 |
| 3ftw_ligand_1_1.mol2 | 3ftw | 1 | -6.66 | n1cc(ccc1)C | 7 |
| 1xur_ligand_1_2.mol2 | 1xur | 1 | -6.61 | Cc1cccnc1 | 7 |
| 4jr5_ligand_1_0.mol2 | 4jr5 | 1 | -6.56 | Cc1cnccc1 | 7 |
| 4nbk_ligand_frag_0.mol2 | 4nbk | 1 | -6.55 | c1ncc(cc1)C | 7 |
| 4hvs_ligand_1_1.mol2 | 4hvs | 1 | -6.54 | Cc1cnccc1 | 7 |
| 4hw7_ligand_1_2.mol2 | 4hw7 | 1 | -6.49 | Cc1cnccc1 | 7 |
| 4bdi_ligand_frag_2.mol2 | 4bdi | 1 | -6.48 | n1cccc(c1)C | 7 |
| 5bvk_ligand_1_1.mol2 | 5bvk | 1 | -6.48 | Cc1cccnc1 | 7 |
107 ,
11
