General
Preferred name
GSK-2018682
Synonyms
GSK 2018682 ()
GSK2018682 ()
Gsk2018682 ()
P&D ID
PD058750
CAS
1034688-30-6
Tags
available
drug candidate
Drug indication
Immune System disease
Relapsing-remitting multiple sclerosis
Drug Status
investigational
Max Phase
1.0
Structure
Probe scores
P&D probe-likeness score
[[ v.score ]]%
Structure formats
[[ format ]]
[[ compound[format === 'MOL' ? 'molblock' : format.toLowerCase()] ]]
Description
(extracted from source data)
DESCRIPTION GSK2018682 is an agonist for S1P1 and S1P5 receptor with pEC50s of 7.7 and 7.2, respectively, and has no agonist activity towards human S1P2, S1P3, or S1P4. GSK2018682 is used in the research of multiple sclerosis.
PRICE 72
DESCRIPTION GSK2018682 is a S1P1/5 receptor modulator . (GtoPdb)
DESCRIPTION Potent and selective peripherally acting delta opioid antagonist; antianalgesic. (Tocris Bioactive Compound Library)
DESCRIPTION GSK2018682 is an agonist of sphingosine-1-phosphate receptor (s1p1) and (s1p5) agonist(pEC50s of 7.7 and 7.2,respectively). (TargetMol Bioactive Compound Library)
Compound Sets
9
Cayman Chemical Bioactives
31437
ChEMBL Drugs
CHEMBL4297542
DrugBank
DB11987
DrugMAP
DMRU4YV
Guide to Pharmacology
11311
MedChem Express Bioactive Compound Library
HY-19511
ReFrame library
TargetMol Bioactive Compound Library
T7360
Tocris Bioactive Compound Library
6709
External IDs
25
Properties
(calculated by RDKit )
Molecular Weight
440.13
Hydrogen Bond Acceptors
7
Hydrogen Bond Donors
1
Rotatable Bonds
8
Ring Count
4
Aromatic Ring Count
4
cLogP
5.06
TPSA
103.27
Fraction CSP3
0.27
Chiral centers
0.0
Largest ring
6.0
QED
0.41
Structural alerts
0
No structural alerts detected
Custom attributes
(extracted from source data)
Pathway
GPCR/G protein
Primary Target
Sphingosine-1-Phosphate Receptors
MOA
Agonist
Target
LPL Receptor
LPL
S1P
Source data