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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
Stereochemistry ACHIRAL
Additional Stereochemistry No
Defined Stereocenters 0 / 0
E/Z Centers 0
Optical Activity NONE

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.

Approval Year

PubMed

PubMed

TitleDatePubMed
Discontinued drugs in 2008: anti-infectives.
2010 Jan
Patents
Substance Class Chemical
Created
by admin
on Sat Dec 16 16:46:59 GMT 2023
Edited
by admin
on Sat Dec 16 16:46:59 GMT 2023
Record UNII
9P5MH9F521
Record Status Validated (UNII)
Record Version
  • Download
Name Type Language
EPETIRIMOD
INN   USAN  
USAN   INN  
Official Name English
EPETIRIMOD [USAN]
Common Name English
851A
Code English
851-A
Code English
1-(2-Methylpropyl)-1H-imidazo[4,5-c][1,5]naphthyridin-4-amine
Systematic Name English
1H-IMIDAZO(4,5-C)(1,5)NAPHTHYRIDIN-4-AMINE, 1-(2-METHYLPROPYL)-
Systematic Name English
S-30563
Code English
epetirimod [INN]
Common Name English
Classification Tree Code System Code
NCI_THESAURUS C308
Created by admin on Sat Dec 16 16:47:00 GMT 2023 , Edited by admin on Sat Dec 16 16:47:00 GMT 2023
Code System Code Type Description
PUBCHEM
9942845
Created by admin on Sat Dec 16 16:47:00 GMT 2023 , Edited by admin on Sat Dec 16 16:47:00 GMT 2023
PRIMARY
EPA CompTox
DTXSID20177268
Created by admin on Sat Dec 16 16:47:00 GMT 2023 , Edited by admin on Sat Dec 16 16:47:00 GMT 2023
PRIMARY
USAN
SS-67
Created by admin on Sat Dec 16 16:47:00 GMT 2023 , Edited by admin on Sat Dec 16 16:47:00 GMT 2023
PRIMARY
INN
8837
Created by admin on Sat Dec 16 16:47:00 GMT 2023 , Edited by admin on Sat Dec 16 16:47:00 GMT 2023
PRIMARY
ChEMBL
CHEMBL2103807
Created by admin on Sat Dec 16 16:47:00 GMT 2023 , Edited by admin on Sat Dec 16 16:47:00 GMT 2023
PRIMARY
FDA UNII
9P5MH9F521
Created by admin on Sat Dec 16 16:47:00 GMT 2023 , Edited by admin on Sat Dec 16 16:47:00 GMT 2023
PRIMARY
CAS
227318-71-0
Created by admin on Sat Dec 16 16:47:00 GMT 2023 , Edited by admin on Sat Dec 16 16:47:00 GMT 2023
PRIMARY
NCI_THESAURUS
C72763
Created by admin on Sat Dec 16 16:47:00 GMT 2023 , Edited by admin on Sat Dec 16 16:47:00 GMT 2023
PRIMARY
SMS_ID
300000034201
Created by admin on Sat Dec 16 16:47:00 GMT 2023 , Edited by admin on Sat Dec 16 16:47:00 GMT 2023
PRIMARY
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SALT/SOLVATE -> PARENT
SALT/SOLVATE -> PARENT
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ACTIVE MOIETY