RG7845

Ligand id: 9299

Name: RG7845

Structure and Physico-chemical Properties

2D Structure
Calculated Physico-chemical Properties
Hydrogen bond acceptors 12
Hydrogen bond donors 2
Rotatable bonds 7
Topological polar surface area 119.3
Molecular weight 664.35
XLogP 3.32
No. Lipinski's rules broken 1

Molecular properties generated using the CDK

Classification
Compound class Synthetic organic
IUPAC Name
(S)-2-(3'-(hydroxymethyl)-1-methyl-5-((5-(2-methyl-4-(oxetan-3-yl)piperazin-1-yl)pyridin-2-yl)amino)-6-oxo-1,6-dihydro-[3,4'-bipyridin]-2'-yl)-7,7-dimethyl-3,4,7,8-tetrahydro-2H-cyclopenta[4,5]pyrrolo[1,2-a]pyrazin-1(6H)-one
Synonyms
Example 130 [US20140194408] | GDC0853 | RG-7845
Database Links
CAS Registry No. 1434048-34-6
PubChem CID 86567195
Search Google for chemical match using the InChIKey WNEODWDFDXWOLU-QHCPKHFHSA-N
Search Google for chemicals with the same backbone WNEODWDFDXWOLU
Search UniChem for chemical match using the InChIKey WNEODWDFDXWOLU-QHCPKHFHSA-N
Search UniChem for chemicals with the same backbone WNEODWDFDXWOLU
Comments
RG7845 (GDC-0853) is a Bruton's tyrosine kinase (BTK) inhibitor, under investigation for therapeutic potential in difficult-to-treat autoimmune diseases. The compound is claimed in patent WO2013067274 [1]. The proopsed INN is fenebrutinib.