CPG-52852

Search structure
Synonyms:
Status: Phase 2
Entry Type: Small molecule
Molecule Category: UNKNOWN
UNII: 6PJC3KPK6S

Structure
InChI Key YZOQZEXYFLXNKA-UHFFFAOYSA-N
Smile CCc1nc2c(N)nc3ccccc3c2n1CCCCNS(C)(=O)=O
InChI
InChI=1S/C17H23N5O2S/c1-3-14-21-15-16(12-8-4-5-9-13(12)20-17(15)18)22(14)11-7-6-10-19-25(2,23)24/h4-5,8-9,19H,3,6-7,10-11H2,1-2H3,(H2,18,20)

Physicochemical Descriptors

Property Name Value
Molecular Formula C17H23N5O2S
Molecular Weight 361.47
AlogP 2.06
Hydrogen Bond Acceptor 6.0
Hydrogen Bond Donor 2.0
Number of Rotational Bond 7.0
Polar Surface Area 102.9
Molecular species NEUTRAL
Aromatic Rings 3.0
Heavy Atoms 25.0

Pharmacology

Action Mechanism of Action Reference
AGONIST Toll-like receptor 7 agonist PubMed
Targets EC50(nM) IC50(nM) Kd(nM) Ki(nM) Inhibition(%)
Membrane receptor Toll-like and Il-1 receptors
2657 - - - -

Indications

Mesh Heading Maximum Phase Mesh ID Reference
Melanoma 2 D008545 ClinicalTrials
Melanoma 2 D008545 ClinicalTrials
Neoplasms 1 D009369 ClinicalTrials

Related Entries

Scaffolds

Cross References

Resources Reference
ChEMBL CHEMBL549344
DrugBank DB12476
EPA CompTox DTXSID20201416
FDA SRS 6PJC3KPK6S
Guide to Pharmacology 9025
PubChem 10309114
SureChEMBL SCHEMBL483385
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