IUPAC name
5-({4-[2-(5-ethylpyridin-2-yl)ethoxy]phenyl}methyl)-1,3-thiazolidine-2,4-dione
SMILES
CCC1=CN=C(CCOC2=CC=C(CC3SC(=O)NC3=O)C=C2)C=C1
Compound class
Hypoglycemic Agents; Drugs Used in Diabetes; Alimentary Tract and Metabolism; Thiazolidinediones; Blood Glucose Lowering Drugs, Excl. Insulins; 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; CYP2D6 Inducers; CYP2D6 Inducers (strong); CYP3A4 Inhibitors;
Therapeutic area
Treatment of Type II diabetes mellitus.
Common name
Pioglitazone
IUPAC name
5-({4-[2-(5-ethylpyridin-2-yl)ethoxy]phenyl}methyl)-1,3-thiazolidine-2,4-dione
SMILES
CCC1=CN=C(CCOC2=CC=C(CC3SC(=O)NC3=O)C=C2)C=C1
INCHI
InChI=1S/C19H20N2O3S/c1-2-13-3-6-15(20-12-13)9-10-24-16-7-4-14(5-8-16)11-17-18(22)21-19(23)25-17/h3-8,12,17H,2,9-11H2,1H3,(H,21,22,23)
FORMULA
C19H20N2O3S
Common name
Pioglitazone
IUPAC name
5-({4-[2-(5-ethylpyridin-2-yl)ethoxy]phenyl}methyl)-1,3-thiazolidine-2,4-dione
Molecular weight
356.439
clogP
4.279
clogS
-5.725
HBond Acceptor
4
HBond Donor
1
Total Polar Surface Area
93.59
Number of Rings
3
Rotatable Bond
7
| Drug ID | Common name | Structure CAS | SMILE | Frequency |
|---|---|---|---|---|
| FDBF00006 | phenol |
|
c1ccc(cc1)O | 0.0897 |
| FDBF00023 | toluene |
|
c1(ccccc1)C | 0.1268 |
| FDBF00211 | anisole |
|
COc1ccccc1 | 0.0423 |
| FDBF00281 | ethoxybenzene |
|
O(c1ccccc1)CC | 0.0175 |
| FDBF00912 | thiazole-2,4-dione |
|
[S]1=CC(=O)NC1=O | 0.0010 |
| FDBF02562 | 3-ethylpyridine |
|
C(C)c1cccnc1 | 0.0007 |
| FDBF02565 | 2,5-diethylpyridine |
|
C(C)c1ncc(cc1)CC | 0.0003 |
| FDBF02566 | 2-(5-ethyl-2-pyridyl)ethanol |
|
C(CO)c1ncc(cc1)CC | 0.0003 |
