General
Preferred name
ATORVASTATIN LACTONE
Synonyms
Atorvastatin lactone-d5 ()
P&D ID
PD027204
CAS
125995-03-1
Tags
available
Structure
Probe scores
P&D probe-likeness score
[[ v.score ]]%
Structure formats
[[ format ]]
[[ compound[format === 'MOL' ? 'molblock' : format.toLowerCase()] ]]
Description
(extracted from source data)
DESCRIPTION A metabolite of the approved drug atorvastatin, atorvastatin lactone is also used experimentally. (GtoPdb)
Compound Sets
3
Cayman Chemical Bioactives
20951
35171
Guide to Pharmacology
2957
MedChem Express Bioactive Compound Library
HY-101873
External IDs
32
Properties
(calculated by RDKit )
Molecular Weight
540.24
Hydrogen Bond Acceptors
5
Hydrogen Bond Donors
2
Rotatable Bonds
8
Ring Count
5
Aromatic Ring Count
4
cLogP
6.79
TPSA
80.56
Fraction CSP3
0.27
Chiral centers
2.0
Largest ring
6.0
QED
0.24
Structural alerts
0
No structural alerts detected
Related compounds
Custom attributes
(extracted from source data)
Pathway
Metabolic Enzyme/Protease
Target
HMG-CoA Reductase (HMGCR)
Source data