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Details

Stereochemistry ABSOLUTE
Molecular Formula C26H35NO5S
Molecular Weight 473.625
Optical Activity UNSPECIFIED
Defined Stereocenters 2 / 2
E/Z Centers 0
Charge 0

SHOW SMILES / InChI
Structure of SIMENEPAG ISOPROPYL

SMILES

CCCCC[C@H](O)C1=CC=C(C=C1)N2[C@@H](COCC3=CC=C(S3)C(=O)OC(C)C)CCC2=O

InChI

InChIKey=MSIIJNOQQWRTFC-GGAORHGYSA-N
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

HIDE SMILES / InChI

Description

Simenepag (AGN-210676) is a a small molecule selective prostaglandin EP2 agonist with EC50 of 5 nM. Allergan was developing simenepag for the treatment of glaucoma and ocular hypertension.

Originator

Approval Year

Sample Use Guides

In Vivo Use Guide
Drug: Simenepag isopropyl (AGN-210669) ophthalmic solution, 0.1% One drop of AGN-210669 ophthalmic solution, 0.1% in both eyes each evening from Day 1 through the evening prior to Day 29. Selected sites: One additional drop in both eyes on Day 29. Drug: AGN-210669 ophthalmic solution, 0.075% One drop of AGN-210669 ophthalmic solution, 0.075% in both eyes each evening from Day 1 through the evening prior to Day 29. Selected sites: One additional drop in both eyes on Day 29. Drug: AGN-210669 ophthalmic solution, 0.05% One drop of AGN-210669 ophthalmic solution, 0.05% in both eyes each evening from Day 1 through the evening prior to Day 29. Selected sites: One additional drop in both eyes on Day 29.
Route of Administration: Topical
In Vitro Use Guide
Simenepag (AGN-210676) is a selective prostaglandin EP2 agonist with EC50 of 5 nM. It is a less potent agonist for recombinant human prostaglandin receptors hEP3A and hDP with EC50s of 153 nM and 7749 nM, respectively.