compound 18 [PMID: 15664838]

Ligand id: 6536

Name: compound 18 [PMID: 15664838]

Structure and Physico-chemical Properties

2D Structure
Calculated Physico-chemical Properties
Hydrogen bond acceptors 6
Hydrogen bond donors 1
Rotatable bonds 8
Topological polar surface area 69.88
Molecular weight 504.23
XLogP 4.65
No. Lipinski's rules broken 0

Molecular properties generated using the CDK

Classification
Compound class Synthetic organic
IUPAC Name
2-amino-4-[4-[bis(4-fluorophenyl)methyl]piperazin-1-yl]-1-(1,3-dihydroisoindol-2-yl)butane-1,4-dione
Database Links
ChEMBL Ligand CHEMBL367368
GtoPdb PubChem SID 178103150
PubChem CID 11375559
Search Google for chemical match using the InChIKey ZKIQFLSGMMYCGS-UHFFFAOYSA-N
Search Google for chemicals with the same backbone ZKIQFLSGMMYCGS
Search UniChem for chemical match using the InChIKey ZKIQFLSGMMYCGS-UHFFFAOYSA-N
Search UniChem for chemicals with the same backbone ZKIQFLSGMMYCGS
Comments
This compound is a potent and selective inhibitor of dipeptidyl-peptidase 8 (DPP8) [1].