Structure

InChI Key VWBQYTRBTXKKOG-IYNICTALSA-M
Smile CC[C@H](C)C(=O)O[C@H]1C[C@H](O)C=C2C=C[C@H](C)[C@H](CC[C@@H](O)C[C@@H](O)CC(=O)[O-])[C@H]21.[Na+]
InChI
InChI=1S/C23H36O7.Na/c1-4-13(2)23(29)30-20-11-17(25)9-15-6-5-14(3)19(22(15)20)8-7-16(24)10-18(26)12-21(27)28;/h5-6,9,13-14,16-20,22,24-26H,4,7-8,10-12H2,1-3H3,(H,27,28);/q;+1/p-1/t13-,14-,16+,17+,18+,19-,20-,22-;/m0./s1

Physicochemical Descriptors

Property Name Value
Molecular Formula C23H35NaO7
Molecular Weight 446.52
AlogP 2.44
Hydrogen Bond Acceptor 6.0
Hydrogen Bond Donor 4.0
Number of Rotational Bond 10.0
Polar Surface Area 124.29
Molecular species ACID
Aromatic Rings 0.0
Heavy Atoms 30.0

Pharmacology

Action Mechanism of Action Reference
INHIBITOR HMG-CoA reductase inhibitor DailyMed

Metabolites

visNetwork

Indications

Mesh Heading Maximum Phase Mesh ID Reference
Ischemic Stroke 3 D000083242 ClinicalTrials
Diabetes Mellitus, Type 1 3 D003922 ClinicalTrials
Hyperlipidemia, Familial Combined 3 D006950 ClinicalTrials
Lipodystrophy 3 D008060 ClinicalTrials
Liver Neoplasms 3 D008113 ClinicalTrials
Lung Neoplasms 3 D008175 ClinicalTrials
HIV Infections 2 D015658 ClinicalTrials
HIV Infections 2 D015658 ClinicalTrials
Leukemia 2 D007938 ClinicalTrials

Related Entries

Scaffolds

Parent
Mixture

Adverse Reactions

System Organ Classification (SOC)
Relative Frequency (%)
Musculoskeletal and connective tissue disorders
15.11
General disorders and administration site conditions
10.39
Nervous system disorders
10.38
Gastrointestinal disorders
6.9
Skin and subcutaneous tissue disorders
6.74
Respiratory, thoracic and mediastinal disorders
5.82
Injury, poisoning and procedural complications
5.69
Cardiac disorders
4.97
Investigations
4.95
Vascular disorders
4.95
Psychiatric disorders
4.65
Immune system disorders
3.35
Metabolism and nutrition disorders
2.62
Renal and urinary disorders
2.02

Cross References

Resources Reference
ChEBI 8361
ChEMBL CHEMBL690
EPA CompTox DTXSID6047525
FDA SRS 3M8608UQ61
KEGG D00893
PubChem 16759173
SureChEMBL SCHEMBL3013
ZINC ZINC03798763