Structure

InChI Key ZGGHKIMDNBDHJB-CALJPSDSSA-M
Smile CC(C)n1c(/C=C/C(O)CC(O)CC(=O)[O-])c(-c2ccc(F)cc2)c2ccccc21.[Na+]
InChI
InChI=1S/C24H26FNO4.Na/c1-15(2)26-21-6-4-3-5-20(21)24(16-7-9-17(25)10-8-16)22(26)12-11-18(27)13-19(28)14-23(29)30;/h3-12,15,18-19,27-28H,13-14H2,1-2H3,(H,29,30);/q;+1/p-1/b12-11+;

Physicochemical Descriptors

Property Name Value
Molecular Formula C24H25FNNaO4
Molecular Weight 433.45
AlogP 4.63
Hydrogen Bond Acceptor 4.0
Hydrogen Bond Donor 3.0
Number of Rotational Bond 8.0
Polar Surface Area 82.69
Molecular species ACID
Aromatic Rings 3.0
Heavy Atoms 30.0

Pharmacology

Action Mechanism of Action Reference
INHIBITOR HMG-CoA reductase inhibitor DailyMed
Targets EC50(nM) IC50(nM) Kd(nM) Ki(nM) Inhibition(%)
Enzyme Oxidoreductase
- 3-21210 - - -

Indications

Mesh Heading Maximum Phase Mesh ID Reference
Breast Neoplasms 2 D001943 ClinicalTrials

Related Entries

Scaffolds

Parent

Adverse Reactions

System Organ Classification (SOC)
Relative Frequency (%)
Investigations
12.62
Musculoskeletal and connective tissue disorders
11.82
Nervous system disorders
9.7
General disorders and administration site conditions
9.63
Gastrointestinal disorders
7.71
Vascular disorders
6.73
Cardiac disorders
5.79
Injury, poisoning and procedural complications
4.86
Respiratory, thoracic and mediastinal disorders
4.16
Renal and urinary disorders
3.77
Hepatobiliary disorders
3.47
Skin and subcutaneous tissue disorders
3.47
Psychiatric disorders
3.39
Metabolism and nutrition disorders
2.72
Immune system disorders
2.37

Cross References

Resources Reference
ChEMBL CHEMBL2218894
FDA SRS PYF7O1FV7F
PubChem 23679527
SureChEMBL SCHEMBL556763