Synonyms:
Status: Phase 2
Entry Type: Small molecule
Molecule Category: UNKNOWN
UNII: 5L3SX16QBQ

Structure

InChI Key LFMPVTVPXHNXOT-HNNXBMFYSA-N
Smile CCC[C@H](C)Oc1nc(N)c2[nH]c(=O)n(CCCCCN3CCCCC3)c2n1
InChI
InChI=1S/C20H34N6O2/c1-3-10-15(2)28-19-23-17(21)16-18(24-19)26(20(27)22-16)14-9-5-8-13-25-11-6-4-7-12-25/h15H,3-14H2,1-2H3,(H,22,27)(H2,21,23,24)/t15-/m0/s1

Physicochemical Descriptors

Property Name Value
Molecular Formula C20H34N6O2
Molecular Weight 390.53
AlogP 2.93
Hydrogen Bond Acceptor 7.0
Hydrogen Bond Donor 2.0
Number of Rotational Bond 10.0
Polar Surface Area 102.06
Molecular species BASE
Aromatic Rings 2.0
Heavy Atoms 28.0

Pharmacology

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

Indications

Mesh Heading Maximum Phase Mesh ID Reference
Asthma 2 D001249 ClinicalTrials

Related Entries

Scaffolds

Cross References

Resources Reference
ChEMBL CHEMBL4297492
DrugBank DB16076
FDA SRS 5L3SX16QBQ
Guide to Pharmacology 9254
PubChem 44623937
SureChEMBL SCHEMBL565847