Compound - Results

Simvastatin

Java required.


Information Structure
Name Simvastatin
Synonyms
2,2-Dimethylbutyric Acid, 8-ester With (4R,6R)-6-(2-((1S,2S,6R,8S,8aR)-1,2,6,7,8,8a-hexahydro-8-hydroxy-2,6-dimethyl-1-naphthyl)ethyl)tetrahydro-4-hyd
BRN 4768037
CCRIS 7558
Cholestat
Coledis
Colemin
Corolin
Denan
DRG-0320
L 644128-000U
Labistatin
Lipex
Lodales
Medipo
MK-0733
MK-733
Nivelipol
Pantok
Rendapid
Simovil
Simvastatin
Sinvacor
Sivastin
Synvinolin
Vasotenal
Zocor
Zocord
ATC C10AA01
CID 54454
CAS 079902639
TTD Drug ID DAP000552
SMILES CCC(C)(C)C(=O)O[C@H]1C[C@@H](C)C=C2C=C[C@H](C)[C@H](CC[C@@H]3C[C@@H](O)CC(=O)O3)[C@@H]12
Formula C25H38O5
Molweight 418.566
Atoms 37
LogP 4.5856
Rotatable Bonds 7
H-Bond Donors 0
H-Bond Acceptors 5
CYP interactions
NameRelationsReferences
2C8Substrate Inhibitor 15601807
15998357
17178259
2C9Inhibitor 8737761
2D6Substrate Inhibitor 15285699
8737761
11996015
3A4Substrate Inhibitor 12822205
11181496
11465417
11996015
9321523
3A5Substrate 9321523
3A7Substrate medicine.iupui.edu/flockhart
Transporter
AC-No.NameReferences
A5D8U6ABCA1 21241519
P21439Multidrug resistance protein 321241519
Q00325Phosphate transport protein 22080086
Q4U2R8hROAT117585018
Q8TCC7Solute carrier family 22 member 814729100
Q9Y2P5Very long-chain acyl-CoA synthetase homolog 2 19659652
Q9Y6L6Solute carrier family 21 member 619785645
Extrarenal fraction 1
Elimination half-life 2h