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Details

Stereochemistry ACHIRAL
Molecular Formula C19H19ClN4O2
Molecular Weight 370.8334
Optical Activity NONE
Defined Stereocenters 0 / 0
E/Z Centers 0
Charge 0

SHOW SMILES / InChI
Structure of GSK-554418A

SMILES

Cn1ccc2c1c(cnc2Nc3cccc(c3)Cl)C(=O)N4CCOCC4

InChI

InChIKey=VARGWBUXBMFVJN-UHFFFAOYSA-N
InChI=1S/C19H19ClN4O2/c1-23-6-5-15-17(23)16(19(25)24-7-9-26-10-8-24)12-21-18(15)22-14-4-2-3-13(20)11-14/h2-6,11-12H,7-10H2,1H3,(H,21,22)

HIDE SMILES / InChI

Molecular Formula C19H19ClN4O2
Molecular Weight 370.8334
Charge 0
Count
Stereochemistry ACHIRAL
Additional Stereochemistry No
Defined Stereocenters 0 / 0
E/Z Centers 0
Optical Activity NONE

Approval Year

PubMed

PubMed

TitleDatePubMed
Discovery of 1-[4-(3-chlorophenylamino)-1-methyl-1H-pyrrolo[3,2-c]pyridin-7-yl]-1-morpholin-4-ylmethanone (GSK554418A), a brain penetrant 5-azaindole CB2 agonist for the treatment of chronic pain.
2009 Oct 8
Patents
Substance Class Chemical
Created
by admin
on Sat Jun 26 01:55:23 UTC 2021
Edited
by admin
on Sat Jun 26 01:55:23 UTC 2021
Record UNII
9132NB1UJR
Record Status Validated (UNII)
Record Version
  • Download
Name Type Language
GSK-554418A
Common Name English
MORPHOLINE, 4-((4-((3-CHLOROPHENYL)AMINO)-1-METHYL-1H-PYRROLO(3,2-C)PYRIDIN-7-YL)CARBONYL)-
Systematic Name English
METHANONE, (4-((3-CHLOROPHENYL)AMINO)-1-METHYL-1H-PYRROLO(3,2-C)PYRIDIN-7-YL)-4-MORPHOLINYL-
Systematic Name English
Code System Code Type Description
CAS
871819-90-8
Created by admin on Sat Jun 26 01:55:23 UTC 2021 , Edited by admin on Sat Jun 26 01:55:23 UTC 2021
PRIMARY
FDA UNII
9132NB1UJR
Created by admin on Sat Jun 26 01:55:23 UTC 2021 , Edited by admin on Sat Jun 26 01:55:23 UTC 2021
PRIMARY
PUBCHEM
11501580
Created by admin on Sat Jun 26 01:55:23 UTC 2021 , Edited by admin on Sat Jun 26 01:55:23 UTC 2021
PRIMARY
Related Record Type Details
TARGET -> AGONIST
AGONIST
EC50
Related Record Type Details
ACTIVE MOIETY