SL422

Ligand id: 8629

Name: SL422

Structure and Physico-chemical Properties

2D Structure
Calculated Physico-chemical Properties
Hydrogen bond acceptors 7
Hydrogen bond donors 5
Rotatable bonds 9
Topological polar surface area 145.86
Molecular weight 462.25
XLogP 1.38
No. Lipinski's rules broken 0

Molecular properties generated using the CDK

Classification
Compound class Synthetic organic
Synonyms
analogue 55f [PMID: 11472217]
Database Links
ChEMBL Ligand CHEMBL88520
PubChem CID 10344307
Search Google for chemical match using the InChIKey HFAGTNGCAZYYLZ-OTWHNJEPSA-N
Search Google for chemicals with the same backbone HFAGTNGCAZYYLZ
Search UniChem for chemical match using the InChIKey HFAGTNGCAZYYLZ-OTWHNJEPSA-N
Search UniChem for chemicals with the same backbone HFAGTNGCAZYYLZ
Comments
SL422 was identified using a structure-activity aided strategy to identify novel small molecule inhibitors of ADAM17, the tumor necrosis factor, alpha, converting enzyme (TACE) [1].