Common name
pyridine
IUPAC name
pyridine
SMILES
c1cccnc1
Common name
pyridine
IUPAC name
pyridine
SMILES
c1cccnc1
INCHI
InChI=1S/C5H5N/c1-2-4-6-5-3-1/h1-5H
FORMULA
C5H5N
Common name
pyridine
IUPAC name
pyridine
Molecular weight
79.100
clogP
1.626
clogS
-1.146
Frequency
0.0333
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 |
|---|---|---|---|---|
| FDBD01710 | Sonidegib |
|
Antineoplastic Agents; Antineoplastic and Immunomodulating Agents; CYP3A4 Inhibitors; | Sonidegib is approved for use in the US and EU for treatment of adults with locally advanced basal cell carcinoma (BCC) that has recurred post surgery or radiation therapy. It is also approved for adult patients with BCC who are not eligible for surgery or radiation therapy. (2). |
| FDBD01716 | Florbetapir (18F) |
|
Diagnostic Radiopharmaceuticals; Central Nervous System; | |
| FDBD01745 | Droxicam |
|
Musculo-Skeletal System; Antiinflammatory and Antirheumatic Products, Non-Steroids; Antiinflammatory and Antirheumatic Products; Oxicams; | |
| FDBD01749 | Nicorandil |
|
Vitamin B Complex; Antihypertensive Agents; Anti-Arrhythmia Agents; Vasodilator Agents; Cardiovascular System; Cardiac Therapy; Vasodilators Used in Cardiac Diseases; | Used to treat angina. |
| FDBD01771 | Sodium picosulfate |
|
Cathartics; Alimentary Tract and Metabolism; Drugs for Constipation; Contact Laxatives; | For cleansing of the colon as a preparation for colonoscopy in adults. |
| FDBD01783 | Morniflumate |
|
Musculo-Skeletal System; Antiinflammatory and Antirheumatic Products, Non-Steroids; Antiinflammatory and Antirheumatic Products; | |
| FDBD01792 | Talniflumate |
|
; | For the treatment of cystic fibrosis. |
| FDBD01826 | Acrivastine |
|
Respiratory System; Antihistamines for Systemic Use; | For the relief of symptoms associated with seasonal allergic rhinitis such as sneezing, rhinorrhea, pruritus, lacrimation, and nasal congestion. |
| FDBD01846 | anabasine |
|
Insecticide | Insecticide |
| FDBD01851 | nicotine |
|
Insecticide | Insecticide |
97 ,
10
| FRAGNAME | PDBID | SIMILIRITY | XSCORE | SMILE | HAC |
|---|---|---|---|---|---|
| 1xh5_ligand_frag_1.mol2 | 1xh5 | 1 | -6.40 | c1ccncc1 | 6 |
| 1xh6_ligand_frag_7.mol2 | 1xh6 | 1 | -6.40 | c1ccncc1 | 6 |
| 1svh_ligand_frag_7.mol2 | 1svh | 1 | -6.39 | c1ccncc1 | 6 |
| 1xh9_ligand_frag_1.mol2 | 1xh9 | 1 | -6.39 | c1ccncc1 | 6 |
| 2gnj_ligand_frag_3.mol2 | 2gnj | 1 | -6.39 | c1ccncc1 | 6 |
| 3dne_ligand_frag_1.mol2 | 3dne | 1 | -6.39 | c1ccncc1 | 6 |
| 1xh4_ligand_frag_1.mol2 | 1xh4 | 1 | -6.38 | c1ccncc1 | 6 |
| 1xh8_ligand_frag_1.mol2 | 1xh8 | 1 | -6.38 | c1ccncc1 | 6 |
645 ,
65
