compound 1 [PMID: 16821802]

Ligand id: 8873

Name: compound 1 [PMID: 16821802]

Structure and Physico-chemical Properties

2D Structure
Calculated Physico-chemical Properties
Hydrogen bond acceptors 4
Hydrogen bond donors 0
Rotatable bonds 5
Topological polar surface area 36.28
Molecular weight 306.11
XLogP 3.47
No. Lipinski's rules broken 0

Molecular properties generated using the CDK

Classification
Compound class Synthetic organic
IUPAC Name
1-[[(2R,4R)-2-[2-(4-chlorophenyl)ethyl]-4-methyl-1,3-dioxolan-2-yl]methyl]imidazole
Synonyms
imidazole-dioxolane 1
Database Links
ChEMBL Ligand CHEMBL463223
GtoPdb PubChem SID 252827530
PubChem CID 11624321
Search Google for chemical match using the InChIKey PUVVRSXPYYFNAP-CZUORRHYSA-N
Search Google for chemicals with the same backbone PUVVRSXPYYFNAP
Search UniChem for chemical match using the InChIKey PUVVRSXPYYFNAP-CZUORRHYSA-N
Search UniChem for chemicals with the same backbone PUVVRSXPYYFNAP
Comments
Compound 1 is reported as a novel inhibitor of spleen-derived heme oxygenase (haem oxygenase 1, HMOX1; human and rat) [1]. The compound may be used experimentally as the hydrochloride salt (PubChem CID 11624320).