GSK-2018682

Investigational

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 Search

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

Molecular Formula	C22H21ClN4O4
Molecular Weight	440.88
Charge	0
Count

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

Originator

Approval Year

Targets

Primary Target	Pharmacology	Condition	Potency
Sphingosine 1-phosphate receptor 1 6 Target ID: P21453 Gene ID: 1901.0 Gene Symbol: S1PR1 Target Organism: Homo sapiens (Human) Sources: https://www.ncbi.nlm.nih.gov/pubmed/24239768	Agonist 2678

PubMed

Title	Date	PubMed
Second generation S1P pathway modulators: research strategies and clinical developments.	2014 May	24239768
Safety, pharmacokinetics, pharmacodynamics, and bioavailability of GSK2018682, a sphingosine-1-phosphate receptor modulator, in healthy volunteers.	2014 May	27128606
Sphingosine 1-phosphate receptor modulators in multiple sclerosis.	2015 Jul	26239599

Substance Class	Chemical Created by `admin` on `Sat Dec 16 11:36:47 GMT 2023` Edited by `admin` on `Sat Dec 16 11:36:47 GMT 2023`
Record UNII	NJL503AIJA
Record Status	`Validated (UNII)`
Record Version

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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