S-777469

Search structure
Status: Phase 2
Entry Type: Small molecule
Molecule Category: UNKNOWN
UNII: 88NI79737I

Structure
InChI Key JIYXOJFSPOFZPY-UHFFFAOYSA-N
Smile CCc1c(C)cc(C(=O)NC2(C(=O)O)CCCCC2)c(=O)n1Cc1ccc(F)cc1
InChI
InChI=1S/C23H27FN2O4/c1-3-19-15(2)13-18(20(27)25-23(22(29)30)11-5-4-6-12-23)21(28)26(19)14-16-7-9-17(24)10-8-16/h7-10,13H,3-6,11-12,14H2,1-2H3,(H,25,27)(H,29,30)

Physicochemical Descriptors

Property Name Value
Molecular Formula C23H27FN2O4
Molecular Weight 414.48
AlogP 3.42
Hydrogen Bond Acceptor 4.0
Hydrogen Bond Donor 2.0
Number of Rotational Bond 6.0
Polar Surface Area 88.4
Molecular species ACID
Aromatic Rings 2.0
Heavy Atoms 30.0

Pharmacology

Action Mechanism of Action Reference
AGONIST Cannabinoid CB2 receptor agonist PubMed PubMed
Targets EC50(nM) IC50(nM) Kd(nM) Ki(nM) Inhibition(%)
Membrane receptor Family A G protein-coupled receptor Small molecule receptor (family A GPCR) Lipid-like ligand receptor (family A GPCR) Cannabinoid receptor
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Indications

Mesh Heading Maximum Phase Mesh ID Reference
Dermatitis, Atopic 2 D003876 ClinicalTrials

Related Entries

Scaffolds

Cross References

Resources Reference
ChEMBL CHEMBL2019090
DrugBank DB16321
FDA SRS 88NI79737I
PubChem 57331749
SureChEMBL SCHEMBL2745978
ZINC ZINC000084634040
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