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Details

Stereochemistry ACHIRAL
Molecular Formula C22H21ClN4O4
Molecular Weight 440.88
Optical Activity NONE
Defined Stereocenters 0 / 0
E/Z Centers 0
Charge 0

SHOW SMILES / InChI
Structure of GSK-2018682

SMILES

CC(C)OC1=C(Cl)C=C(C=N1)C2=NC(=NO2)C3=CC=CC4=C3C=CN4CCCC(O)=O

InChI

InChIKey=NFIGDBFIDKDNIG-UHFFFAOYSA-N
InChI=1S/C22H21ClN4O4/c1-13(2)30-22-17(23)11-14(12-24-22)21-25-20(26-31-21)16-5-3-6-18-15(16)8-10-27(18)9-4-7-19(28)29/h3,5-6,8,10-13H,4,7,9H2,1-2H3,(H,28,29)

HIDE SMILES / InChI
Targets

Targets

Primary TargetPharmacologyConditionPotency
Target ID: P21453
Gene ID: 1901.0
Gene Symbol: S1PR1
Target Organism: Homo sapiens (Human)
PubMed

PubMed

TitleDatePubMed
Second generation S1P pathway modulators: research strategies and clinical developments.
2014 May
Safety, pharmacokinetics, pharmacodynamics, and bioavailability of GSK2018682, a sphingosine-1-phosphate receptor modulator, in healthy volunteers.
2014 May
Sphingosine 1-phosphate receptor modulators in multiple sclerosis.
2015 Jul
Name Type Language
GSK-2018682
Common Name English
GSK2018682
Code English
1H-INDOLE-1-BUTANOIC ACID, 4-(5-(5-CHLORO-6-(1-METHYLETHOXY)-3-PYRIDINYL)-1,2,4-OXADIAZOL-3-YL)-
Systematic Name English
Code System Code Type Description
DRUG BANK
DB11987
Created by admin on Sat Dec 16 11:36:47 GMT 2023 , Edited by admin on Sat Dec 16 11:36:47 GMT 2023
PRIMARY
PUBCHEM
24988201
Created by admin on Sat Dec 16 11:36:47 GMT 2023 , Edited by admin on Sat Dec 16 11:36:47 GMT 2023
PRIMARY
CAS
1034688-30-6
Created by admin on Sat Dec 16 11:36:47 GMT 2023 , Edited by admin on Sat Dec 16 11:36:47 GMT 2023
PRIMARY
SMS_ID
300000041321
Created by admin on Sat Dec 16 11:36:47 GMT 2023 , Edited by admin on Sat Dec 16 11:36:47 GMT 2023
PRIMARY
FDA UNII
NJL503AIJA
Created by admin on Sat Dec 16 11:36:47 GMT 2023 , Edited by admin on Sat Dec 16 11:36:47 GMT 2023
PRIMARY