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Details

Stereochemistry ACHIRAL
Molecular Formula C13H15N5
Molecular Weight 241.2917
Optical Activity NONE
Defined Stereocenters 0 / 0
E/Z Centers 0
Charge 0

SHOW SMILES / InChI
Structure of EPETIRIMOD

SMILES

CC(C)CN1C=NC2=C1C3=NC=CC=C3N=C2N

InChI

InChIKey=UCPMSMNKGXUFCC-UHFFFAOYSA-N
InChI=1S/C13H15N5/c1-8(2)6-18-7-16-11-12(18)10-9(17-13(11)14)4-3-5-15-10/h3-5,7-8H,6H2,1-2H3,(H2,14,17)

HIDE SMILES / InChI

Molecular Formula C13H15N5
Molecular Weight 241.2917
Charge 0
Count
MOL RATIO 1 MOL RATIO (average)
Stereochemistry ACHIRAL
Additional Stereochemistry No
Defined Stereocenters 0 / 0
E/Z Centers 0
Optical Activity NONE

Description

Epetirimod (S-30563 or TAK-851) is an immunostimulant. The compound is structurally related to the marketed topical imidazoquinoline drug, imiquimod, an agonist of Toll-like receptor 7. Epetirimod was under development with Takeda Pharmaceutical as a topical treatment for cervical high-risk HPV infection and cervical dysplasia. Takeda has discontinued epetirimod development as it did not meet the predefined efficacy end points in a US Phase II trial.

Originator

Approval Year

PubMed

Substance Class Chemical
Record UNII
9P5MH9F521
Record Status Validated (UNII)
Record Version