Synonyms
Status
Molecule Category Free-form
UNII 81LDP7XIYG
EPA CompTox DTXSID40143384

Structure

InChI Key NVPXUFQLKWKBHK-UHFFFAOYSA-N
Smiles CC(C)OC(=O)COc1cccc(CN(Cc2ccc(-n3cccn3)cc2)S(=O)(=O)c2cccnc2)c1
InChI
InChI=1S/C27H28N4O5S/c1-21(2)36-27(32)20-35-25-7-3-6-23(16-25)19-30(37(33,34)26-8-4-13-28-17-26)18-22-9-11-24(12-10-22)31-15-5-14-29-31/h3-17,21H,18-20H2,1-2H3

Physicochemical Descriptors

Property Name Value
Molecular Formula C27H28N4O5S
Molecular Weight 520.61
AlogP 3.99
Hydrogen Bond Acceptor 8.0
Number of Rotational Bond 11.0
Polar Surface Area 103.62
Molecular species NEUTRAL
Aromatic Rings 4.0
Heavy Atoms 37.0

Pharmacology

Mechanism of Action Action Reference
Prostanoid EP2 receptor agonist AGONIST PubMed PubMed

Target Conservation

Protein: Prostanoid EP2 receptor

Description: Prostaglandin E2 receptor EP2 subtype

Organism : Homo sapiens

P43116 ENSG00000125384

Cross References

Resources Reference
ChEMBL CHEMBL2105692
FDA SRS 81LDP7XIYG
PubChem 23729077
SureChEMBL SCHEMBL13399045
ZINC ZINC000068204862