General
Preferred name
o-hydroxyatorvastatin
Synonyms
2-Hydroxy atorvastatin (calcium salt) ()
P&D ID
PD048015
CAS
214217-86-4
265989-46-6
Tags
drug candidate
available
Drug indication
Discovery agent
Probe control
Probe control not defined
Orthogonal probes
0
No orthogonal probes found
Similar probes
0
No structurally similar probes found
Structure
P&D probe-likeness score
Structure formats
[[ format ]]
[[ compound[format === 'MOL' ? 'molblock' : format.toLowerCase()] ]]
Description
(extracted from source data)
DESCRIPTION
One of the active metabolites of the approved drug atorvastatin.
(GtoPdb)
[[ p.pathway_name ]]
[[ compound.targets[tid].gene_name ]]
Compound Sets
3
[[ a.name ]]
[[ ligand_id ]]
free of charge
External IDs
15
Molecular Weight
574.25
Hydrogen Bond Acceptors
6
Hydrogen Bond Donors
5
Rotatable Bonds
12
Ring Count
4
Aromatic Ring Count
4
cLogP
6.02
TPSA
132.02
Fraction CSP3
0.27
Chiral centers
2.0
Largest ring
6.0
QED
0.13
Structural alerts
0
No structural alerts detected
Related compounds
Custom attributes
(extracted from source data)
Target
Drug Metabolite
Pathway
Metabolic Enzyme/Protease
Source data
