Structure

InChI Key RRTPWQXEERTRRK-UHFFFAOYSA-N
Smile CCCCCCCCCCCCCCCCCC(=O)NCCCCOn1c(CCCC)nc2c(N)nc3ccccc3c21
InChI
InChI=1S/C36H59N5O2/c1-3-5-7-8-9-10-11-12-13-14-15-16-17-18-19-27-33(42)38-28-22-23-29-43-41-32(26-6-4-2)40-34-35(41)30-24-20-21-25-31(30)39-36(34)37/h20-21,24-25H,3-19,22-23,26-29H2,1-2H3,(H2,37,39)(H,38,42)

Physicochemical Descriptors

Property Name Value
Molecular Formula C36H59N5O2
Molecular Weight 593.9
AlogP 9.1
Hydrogen Bond Acceptor 6.0
Hydrogen Bond Donor 2.0
Number of Rotational Bond 25.0
Polar Surface Area 95.06
Molecular species NEUTRAL
Aromatic Rings 3.0
Heavy Atoms 43.0

Pharmacology

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

Indications

Mesh Heading Maximum Phase Mesh ID Reference
Lymphoma, T-Cell, Cutaneous 1 D016410 ClinicalTrials
HIV Infections 1 D015658 ClinicalTrials

Related Entries

Scaffolds

Cross References

Resources Reference
ChEMBL CHEMBL4297631
FDA SRS 16598XQ2BT
PubChem 56833311
SureChEMBL SCHEMBL671176