AZD8848   Click here for help

GtoPdb Ligand ID: 9256

Synonyms: DSP-3025
Immunopharmacology Ligand
Compound class: Synthetic organic
Comment: AZD8848 is an investigational agonist, selective for Toll-like receptor 7 (TLR7) [2]. It is Example 2-37 claimed in patent US20140045837 [5].
2D Structure
Click here for help
Click here for structure editor
Physico-chemical Properties
Click here for help
Hydrogen bond acceptors 9
Hydrogen bond donors 2
Rotatable bonds 17
Topological polar surface area 140.83
Molecular weight 569.33
XLogP 2.42
No. Lipinski's rules broken 1
Click here for help
Canonical SMILES CCCCOc1nc(N)c2c(n1)n(CCCN(Cc1cccc(c1)CC(=O)OC)CCCN1CCOCC1)c(=O)[nH]2
Isomeric SMILES CCCCOc1nc(N)c2c(n1)n(CCCN(Cc1cccc(c1)CC(=O)OC)CCCN1CCOCC1)c(=O)[nH]2
InChI InChI=1S/C29H43N7O5/c1-3-4-16-41-28-32-26(30)25-27(33-28)36(29(38)31-25)13-7-12-35(11-6-10-34-14-17-40-18-15-34)21-23-9-5-8-22(19-23)20-24(37)39-2/h5,8-9,19H,3-4,6-7,10-18,20-21H2,1-2H3,(H,31,38)(H2,30,32,33)
Classification Click here for help
Compound class Synthetic organic
IUPAC Name Click here for help
methyl 2-(3-(((3-(6-amino-2-butoxy-8-oxo-7,8-dihydro-9H-purin-9-yl)propyl)(3-morpholinopropyl)amino)methyl)phenyl)acetate
Synonyms Click here for help
Database Links Click here for help
GtoPdb PubChem SID 315661331
PubChem CID 11592228
Search Google for chemical match using the InChIKey FEFIBEHSXLKJGI-UHFFFAOYSA-N
Search Google for chemicals with the same backbone FEFIBEHSXLKJGI
UniChem Compound Search for chemical match using the InChIKey FEFIBEHSXLKJGI-UHFFFAOYSA-N
UniChem Connectivity Search for chemical match using the InChIKey FEFIBEHSXLKJGI-UHFFFAOYSA-N