U.S. Department of Health & Human Services Divider Arrow National Institutes of Health Divider Arrow NCATS

Details

Stereochemistry ACHIRAL
Molecular Formula C15H23N5O2S
Molecular Weight 337.44
Optical Activity NONE
Defined Stereocenters 0 / 0
E/Z Centers 0
Charge 0

SHOW SMILES / InChI
Structure of GS-39783

SMILES

CSC1=NC(NC2CCCC2)=C(C(NC3CCCC3)=N1)[N+]([O-])=O

InChI

InChIKey=GSGVDKOCBKBMGG-UHFFFAOYSA-N
InChI=1S/C15H23N5O2S/c1-23-15-18-13(16-10-6-2-3-7-10)12(20(21)22)14(19-15)17-11-8-4-5-9-11/h10-11H,2-9H2,1H3,(H2,16,17,18,19)

HIDE SMILES / InChI

Molecular Formula C15H23N5O2S
Molecular Weight 337.44
Charge 0
Count
Stereochemistry ACHIRAL
Additional Stereochemistry No
Defined Stereocenters 0 / 0
E/Z Centers 0
Optical Activity NONE

Approval Year

Targets

Targets

Primary TargetPharmacologyConditionPotency
79.43 nM [EC50]
2.2 µM [EC50]
Substance Class Chemical
Created
by admin
on Sat Dec 16 15:31:24 GMT 2023
Edited
by admin
on Sat Dec 16 15:31:24 GMT 2023
Record UNII
HD3T22A5DM
Record Status Validated (UNII)
Record Version
  • Download
Name Type Language
GS-39783
Code English
4,6-Pyrimidinediamine, N4,N6-dicyclopentyl-2-(methylthio)-5-nitro-
Systematic Name English
N4,N6-Dicyclopentyl-2-(methylthio)-5-nitro-4,6-pyrimidinediamine
Systematic Name English
Code System Code Type Description
WIKIPEDIA
GS-39783
Created by admin on Sat Dec 16 15:31:24 GMT 2023 , Edited by admin on Sat Dec 16 15:31:24 GMT 2023
PRIMARY
EPA CompTox
DTXSID30424992
Created by admin on Sat Dec 16 15:31:24 GMT 2023 , Edited by admin on Sat Dec 16 15:31:24 GMT 2023
PRIMARY
PUBCHEM
6604928
Created by admin on Sat Dec 16 15:31:24 GMT 2023 , Edited by admin on Sat Dec 16 15:31:24 GMT 2023
PRIMARY
FDA UNII
HD3T22A5DM
Created by admin on Sat Dec 16 15:31:24 GMT 2023 , Edited by admin on Sat Dec 16 15:31:24 GMT 2023
PRIMARY
CAS
39069-52-8
Created by admin on Sat Dec 16 15:31:24 GMT 2023 , Edited by admin on Sat Dec 16 15:31:24 GMT 2023
PRIMARY
Related Record Type Details
TARGET->POSITIVE ALLOSTERIC MODULATOR (PAM)
Related Record Type Details
ACTIVE MOIETY