compound 12p [Larson et al., 2017]

Ligand id: 9690

Name: compound 12p [Larson et al., 2017]

Structure and Physico-chemical Properties

2D Structure
Calculated Physico-chemical Properties
Hydrogen bond acceptors 7
Hydrogen bond donors 2
Rotatable bonds 7
Topological polar surface area 109.05
Molecular weight 341.19
XLogP 2.23
No. Lipinski's rules broken 0

Molecular properties generated using the CDK

Classification
Compound class Synthetic organic
IUPAC Name
methyl 4-amino-1-(2-aminoethyl)-2-butylimidazo[4,5-c]quinoline-7-carboxylate
Database Links
GtoPdb PubChem SID 348353649
PubChem CID 130276131
Search Google for chemical match using the InChIKey ZYCFMHCDZSVIGF-UHFFFAOYSA-N
Search Google for chemicals with the same backbone ZYCFMHCDZSVIGF
Search UniChem for chemical match using the InChIKey ZYCFMHCDZSVIGF-UHFFFAOYSA-N
Search UniChem for chemicals with the same backbone ZYCFMHCDZSVIGF
Comments
Compound 12p is a selective agonist of Toll-like receptor 8 (TLR8) [1].