atorvastatin lactone

Ligand id: 2957

Name: atorvastatin lactone

2D Structure

Calculated Physico-chemical Properties
Hydrogen bond acceptors	6
Hydrogen bond donors	2
Rotatable bonds	9
Topological polar surface area	80.56
Molecular weight	540.24
XLogP	8.84
No. Lipinski's rules broken	1

Molecular properties generated using the CDK

Classification
Compound class	Synthetic organic

IUPAC Name
5-(4-fluorophenyl)-1-{2-[(2R,4R)-4-hydroxy-6-oxooxan-2-yl]ethyl}-N,4-diphenyl-2-(propan-2-yl)-1H-pyrrole-3-carboxamide

IUPAC Name

5-(4-fluorophenyl)-1-{2-[(2R,4R)-4-hydroxy-6-oxooxan-2-yl]ethyl}-N,4-diphenyl-2-(propan-2-yl)-1H-pyrrole-3-carboxamide

Database Links
CAS Registry No.	125995-03-1 (source: Scifinder)
ChEMBL Ligand	CHEMBL333687
GtoPdb PubChem SID	135649818
PubChem CID	6483036
Search Google for chemical match using the InChIKey	OUCSEDFVYPBLLF-KAYWLYCHSA-N
Search Google for chemicals with the same backbone	OUCSEDFVYPBLLF
Search UniChem for chemical match using the InChIKey	OUCSEDFVYPBLLF-KAYWLYCHSA-N
Search UniChem for chemicals with the same backbone	OUCSEDFVYPBLLF

Comments
A metabolite of the approved drug atorvastatin, atorvastatin lactone is also used experimentally.

Comments

A metabolite of the approved drug atorvastatin, atorvastatin lactone is also used experimentally.