SIMENEPAG ISOPROPYL

Search structure
Synonyms:
Status: Phase 2
Entry Type: Small molecule
Molecule Category: UNKNOWN
UNII: 8908HU0G4K

Structure
InChI Key MSIIJNOQQWRTFC-GGAORHGYSA-N
Smile CCCCC[C@H](O)c1ccc(N2C(=O)CC[C@@H]2COCc2ccc(C(=O)OC(C)C)s2)cc1
InChI
InChI=1S/C26H35NO5S/c1-4-5-6-7-23(28)19-8-10-20(11-9-19)27-21(12-15-25(27)29)16-31-17-22-13-14-24(33-22)26(30)32-18(2)3/h8-11,13-14,18,21,23,28H,4-7,12,15-17H2,1-3H3/t21-,23+/m1/s1

Physicochemical Descriptors

Property Name Value
Molecular Formula C26H35NO5S
Molecular Weight 473.64
AlogP 5.64
Hydrogen Bond Acceptor 6.0
Hydrogen Bond Donor 1.0
Number of Rotational Bond 12.0
Polar Surface Area 76.07
Molecular species NEUTRAL
Aromatic Rings 2.0
Heavy Atoms 33.0

Pharmacology

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

Related Entries

Scaffolds

Cross References

Resources Reference
ChEMBL CHEMBL2105710
DrugBank DB12977
FDA SRS 8908HU0G4K
PubChem 46902081
SureChEMBL SCHEMBL1398317
ZINC ZINC000036486826
CONTENTS