o-hydroxyatorvastatin

Ligand id: 6705

Name: o-hydroxyatorvastatin

Structure and Physico-chemical Properties

2D Structure
Calculated Physico-chemical Properties
Hydrogen bond acceptors 7
Hydrogen bond donors 5
Rotatable bonds 13
Topological polar surface area 132.02
Molecular weight 574.25
XLogP 7.28
No. Lipinski's rules broken 2

Molecular properties generated using the CDK

Classification
Compound class Synthetic organic
Prodrug atorvastatin
IUPAC Name
(3R,5R)-7-[2-(4-fluorophenyl)-4-[(2-hydroxyphenyl)carbamoyl]-3-phenyl-5-propan-2-ylpyrrol-1-yl]-3,5-dihydroxyheptanoic acid
Synonyms
BMS-243887
Database Links
CAS Registry No. 214217-86-4 (source: Scifinder)
ChEMBL Ligand CHEMBL1565
PubChem CID 9808225
RCSB PDB Ligand 3HI
Search Google for chemical match using the InChIKey CZBPKFICAYVHHM-JWQCQUIFSA-N
Search Google for chemicals with the same backbone CZBPKFICAYVHHM
Search UniChem for chemical match using the InChIKey CZBPKFICAYVHHM-JWQCQUIFSA-N
Search UniChem for chemicals with the same backbone CZBPKFICAYVHHM
Comments
One of the active metabolites of the approved drug atorvastatin.