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
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).
Database Links
ChEMBL Ligand CHEMBL463223
GtoPdb PubChem SID 252827530
PubChem CID 11624321
Search Google for chemical match using the InChIKey PUVVRSXPYYFNAP-CZUORRHYSA-N
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Search UniChem for chemical match using the InChIKey PUVVRSXPYYFNAP-CZUORRHYSA-N
Search UniChem for chemicals with the same backbone PUVVRSXPYYFNAP