compound 21n [PMID: 17656086]

Ligand id: 8750

Name: compound 21n [PMID: 17656086]

Structure and Physico-chemical Properties

2D Structure
Calculated Physico-chemical Properties
Hydrogen bond acceptors 7
Hydrogen bond donors 2
Rotatable bonds 12
Topological polar surface area 127.18
Molecular weight 597.22
XLogP 5.87
No. Lipinski's rules broken 2

Molecular properties generated using the CDK

Classification
Compound class Synthetic organic
IUPAC Name
5-[2-[[ethyl-[(3R)-1-[1-(4-fluorophenyl)ethyl]pyrrolidin-3-yl]sulfamoyl]amino]ethyl]-4-(4-methoxyphenyl)-2-thiophen-2-yl-1H-imidazole
Database Links
ChEMBL Ligand CHEMBL235920
PubChem CID 24825377
Search Google for chemical match using the InChIKey YCOQGGMZWKBBGI-UIDYPRJRSA-N
Search Google for chemicals with the same backbone YCOQGGMZWKBBGI
Search UniChem for chemical match using the InChIKey YCOQGGMZWKBBGI-UIDYPRJRSA-N
Search UniChem for chemicals with the same backbone YCOQGGMZWKBBGI
Comments
Compound 21n inhibits 15-lipoxygenase 2 (ALOX15B) in a cellular assay [1].