Atorvastatin |
Atorvastatin : Prodrug for HMGCR inhibitor
Probe Summary
Selectivity
Potency
In Vivo
Control Compounds
Chemical Information
References
Vendors
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Probe Summary
| Targets | Biochemical/Biophysical Potency | Cellular Potency |
|---|---|---|
| HMGCR |
|
Inhibitor, Prodrug
up to 20 uM
Selectivity
Potency Cellular
In Vitro
HMGCR
Mode of Action: Inhibitor, Prodrug
Structure-Activity-Relationship data available? No
DOI Reference: 10.1021/jm800001n
In Vivo Validations
Mouse
Dose: 10 mg/kg (IV), 300 mg/kg (PO)
Route of delivery:
Intravenous, Oral
Systemic clearance:
48 ± 32 ml/min/Kg (IV, Blood)
Organ of interest (O):
Liver
DOI Reference: 10.1021/jm800001n
Negative Control Compounds
3S, 5S-Atorvastatin
Chemical Information
| Molecular Formula | C33H35FN2O5 |
| SMILEs | CC(C)c1c(C(=O)Nc2ccccc2)c(-c2ccccc2)c(-c2ccc(F)cc2)n1CC[C@@H](O)C[C@@H](O)CC(=O)O |
| InChI | InChI=1S/C33H35FN2O5/c1-21(2)31-30(33(41)35-25-11-7-4-8-12-25)29(22-9-5-3-6-10-22)32(23-13-15-24(34)16-14-23)36(31)18-17-26(37)19-27(38)20-28(39)40/h3-16,21,26-27,37-38H,17-20H2,1-2H3,(H,35,41)(H,39,40)/t26-,27-/m1/s1 |
| Molecular weight | 558.25 Da |
| AlogP | 6.3136 |
| HBond acceptors | 7 |
| HBond donors | 4 |
| Atoms | 76 |
References
Publications
Vendors
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