Structure

InChI Key FEFIBEHSXLKJGI-UHFFFAOYSA-N
Smile CCCCOc1nc(N)c2[nH]c(=O)n(CCCN(CCCN3CCOCC3)Cc3cccc(CC(=O)OC)c3)c2n1
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)

Physicochemical Descriptors

Property Name Value
Molecular Formula C29H43N7O5
Molecular Weight 569.71
AlogP 2.21
Hydrogen Bond Acceptor 11.0
Hydrogen Bond Donor 2.0
Number of Rotational Bond 16.0
Polar Surface Area 140.83
Molecular species BASE
Aromatic Rings 3.0
Heavy Atoms 41.0

Pharmacology

Action Mechanism of Action Reference
AGONIST Toll-like receptor 7 agonist PubMed PubMed

Indications

Mesh Heading Maximum Phase Mesh ID Reference
Rhinitis, Allergic, Seasonal 2 D006255 ClinicalTrials

Related Entries

Scaffolds

Cross References

Resources Reference
ChEMBL CHEMBL4297356
DrugBank DB14868
FDA SRS 322ZMR6920
Guide to Pharmacology 9256
PubChem 11592228
SureChEMBL SCHEMBL12047493