Ro26-4550

Ligand id: 5052

Name: Ro26-4550

Structure and Physico-chemical Properties

2D Structure
Calculated Physico-chemical Properties
Hydrogen bond acceptors 7
Hydrogen bond donors 2
Rotatable bonds 9
Topological polar surface area 97.02
Molecular weight 446.23
XLogP 7.55
No. Lipinski's rules broken 1

Molecular properties generated using the CDK

Classification
Compound class Synthetic organic
IUPAC Name
methyl (2S)-2-{2-[(3R)-1-methanehydrazonoylpiperidin-3-yl]acetamido}-3-[4-(2-phenylethynyl)phenyl]propanoate
Synonyms
Ro 26-4550 | Ro-26-4550
Database Links
CAS Registry No. 193744-04-6 (source: Scifinder)
PubChem CID 73755110
Search Google for chemical match using the InChIKey YQDXLNDLKSCQKX-RPWUZVMVSA-N
Search Google for chemicals with the same backbone YQDXLNDLKSCQKX
Search UniChem for chemical match using the InChIKey YQDXLNDLKSCQKX-RPWUZVMVSA-N
Search UniChem for chemicals with the same backbone YQDXLNDLKSCQKX
Comments
Competitive inhibitor of IL-2/IL-2Rα interaction