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

Details

Stereochemistry ACHIRAL
Molecular Formula C25H28N4OS
Molecular Weight 432.581
Optical Activity NONE
Defined Stereocenters 0 / 0
E/Z Centers 1
Charge 0

SHOW SMILES / InChI
Structure of GAT100

SMILES

CCC1=C(NC2=CC=C(C=C12)N=C=S)C(=O)NCCC3=CC=C(C=C3)N4CCCCC4

InChI

InChIKey=YIYLMDVRSNXYOT-UHFFFAOYSA-N
InChI=1S/C25H28N4OS/c1-2-21-22-16-19(27-17-31)8-11-23(22)28-24(21)25(30)26-13-12-18-6-9-20(10-7-18)29-14-4-3-5-15-29/h6-11,16,28H,2-5,12-15H2,1H3,(H,26,30)

HIDE SMILES / InChI

Molecular Formula C25H28N4OS
Molecular Weight 432.581
Charge 0
Count
Stereochemistry ACHIRAL
Additional Stereochemistry No
Defined Stereocenters 0 / 0
E/Z Centers 1
Optical Activity NONE

Approval Year

Substance Class Chemical
Created
by admin
on Sat Dec 16 17:34:03 GMT 2023
Edited
by admin
on Sat Dec 16 17:34:03 GMT 2023
Record UNII
JA6FTF7C5A
Record Status Validated (UNII)
Record Version
  • Download
Name Type Language
GAT100
Code English
3-ETHYL-5-ISOTHIOCYANATO-N-(2-(4-(1-PIPERIDINYL)PHENYL)ETHYL)-1H-INDOLE-2-CARBOXAMIDE
Systematic Name English
GAT-100
Code English
1H-Indole-2-carboxamide, 3-ethyl-5-isothiocyanato-N-[2-[4-(1-piperidinyl)phenyl]ethyl]-
Systematic Name English
Code System Code Type Description
PUBCHEM
121453184
Created by admin on Sat Dec 16 17:34:04 GMT 2023 , Edited by admin on Sat Dec 16 17:34:04 GMT 2023
PRIMARY
EPA CompTox
DTXSID301046389
Created by admin on Sat Dec 16 17:34:04 GMT 2023 , Edited by admin on Sat Dec 16 17:34:04 GMT 2023
PRIMARY
WIKIPEDIA
GAT100
Created by admin on Sat Dec 16 17:34:04 GMT 2023 , Edited by admin on Sat Dec 16 17:34:04 GMT 2023
PRIMARY
FDA UNII
JA6FTF7C5A
Created by admin on Sat Dec 16 17:34:04 GMT 2023 , Edited by admin on Sat Dec 16 17:34:04 GMT 2023
PRIMARY
CAS
1663564-42-8
Created by admin on Sat Dec 16 17:34:04 GMT 2023 , Edited by admin on Sat Dec 16 17:34:04 GMT 2023
PRIMARY
Related Record Type Details
TARGET->NEGATIVE ALLOSTERIC MODULATOR