IUPAC name
(3R,5S,6E)-7-[2-cyclopropyl-4-(4-fluorophenyl)quinolin-3-yl]-3,5-dihydroxyhept-6-enoic acid
SMILES
O[C@H](C[C@H](O)\C=C\C1=C(C2=CC=C(F)C=C2)C2=CC=CC=C2N=C1C1CC1)CC(O)=O
Compound class
Hydroxymethylglutaryl-CoA Reductase Inhibitors; Hypolipidemic Agents; HMG CoA Reductase Inhibitors; Lipid Modifying Agents, Plain; Lipid Modifying Agents; Cardiovascular System; Cytochrome P-450 CYP2C9 Inhibitors; Cytochrome P-450 CYP2C8 Inhibitors; Cytochrome P-450 CYP2C9 Inducers; Cytochrome P-450 CYP2C8 Inducers;
Therapeutic area
Pitavastatin is used to lower serum levels of total cholesterol, LDL-C, apolipoprotein B, and triglycerides, and raise levels of HDL-C for the treatment of dyslipidemia.
Common name
Pitavastatin
IUPAC name
(3R,5S,6E)-7-[2-cyclopropyl-4-(4-fluorophenyl)quinolin-3-yl]-3,5-dihydroxyhept-6-enoic acid
SMILES
O[C@H](C[C@H](O)\C=C\C1=C(C2=CC=C(F)C=C2)C2=CC=CC=C2N=C1C1CC1)CC(O)=O
INCHI
InChI=1S/C25H24FNO4/c26-17-9-7-15(8-10-17)24-20-3-1-2-4-22(20)27-25(16-5-6-16)21(24)12-11-18(28)13-19(29)14-23(30)31/h1-4,7-12,16,18-19,28-29H,5-6,13-14H2,(H,30,31)/b12-11+/t18-,19-/m1/s1
FORMULA
C25H24FNO4
Common name
Pitavastatin
IUPAC name
(3R,5S,6E)-7-[2-cyclopropyl-4-(4-fluorophenyl)quinolin-3-yl]-3,5-dihydroxyhept-6-enoic acid
Molecular weight
421.461
clogP
5.371
clogS
-5.008
HBond Acceptor
5
HBond Donor
3
Total Polar Surface Area
90.65
Number of Rings
4
Rotatable Bond
8
| Drug ID | Common name | Structure CAS | SMILE | Frequency |
|---|---|---|---|---|
| FDBF00004 | acetic acid |
|
CC(=O)O | 0.0687 |
| FDBF00041 | ethanol |
|
CCO | 0.1474 |
| FDBF00149 | 3-hydroxypropanoic acid |
|
C(O)CC(=O)O | 0.0038 |
| FDBF00151 | propane-1,3-diol |
|
C(O)CCO | 0.0045 |
| FDBF00259 | cyclopropane |
|
C1CC1 | 0.0175 |
| FDBF00378 | fluorobenzene |
|
Fc1ccccc1 | 0.0237 |
| FDBF00616 | prop-2-en-1-ol |
|
C=CCO | 0.0072 |
| FDBF00620 | (2S)-but-3-en-2-ol |
|
C=CC(O)C | 0.0031 |
| FDBF00789 | quinoline |
|
n1c2c(ccc1)cccc2 | 0.0041 |
| FDBF03735 | (E,2S)-4-(3-quinolyl)but-3-en-2-ol |
|
n1cc(cc2c1cccc2)C=CC(O)C | 0.0003 |
