RO4929097

Ligand id: 7338

Name: RO4929097

Structure and Physico-chemical Properties

2D Structure
Calculated Physico-chemical Properties
Hydrogen bond acceptors 6
Hydrogen bond donors 3
Rotatable bonds 8
Topological polar surface area 87.3
Molecular weight 469.14
XLogP 7.26
No. Lipinski's rules broken 1

Molecular properties generated using the CDK

Classification
Compound class Synthetic organic
IUPAC Name
2,2-dimethyl-N-[(10S)-9-oxo-8-azatricyclo[9.4.0.02,7]pentadeca-1(15),2,4,6,11,13-hexaen-10-yl]-N'-(2,2,3,3,3-pentafluoropropyl)propanediamide
Synonyms
Ro4929097
Database Links
CAS Registry No. 847925-91-1 (source: PubChem)
PubChem CID 49867930
Search Google for chemical match using the InChIKey OJPLJFIFUQPSJR-INIZCTEOSA-N
Search Google for chemicals with the same backbone OJPLJFIFUQPSJR
Search UniChem for chemical match using the InChIKey OJPLJFIFUQPSJR-INIZCTEOSA-N
Search UniChem for chemicals with the same backbone OJPLJFIFUQPSJR
Comments
RO4929097 as an inhibitor of γ-secretase, was originally developed for Alzheimer's disease but based on its ability to inhibit NOTCH it is now being tested as a therapeutic strategy against melanoma and other tumors [1].