LX2931

Ligand id: 9851

Name: LX2931

Structure and Physico-chemical Properties

2D Structure
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Calculated Physico-chemical Properties
Hydrogen bond acceptors 4
Hydrogen bond donors 6
Rotatable bonds 5
Topological polar surface area 110.35
Molecular weight 245.1
XLogP 0.33
No. Lipinski's rules broken 1

Molecular properties generated using the CDK

Classification
Compound class Synthetic organic
IUPAC Name
(1R,2S,3R)-1-[(2E)-2-(1-nitrosoethylidene)-1,3-dihydroimidazol-4-yl]butane-1,2,3,4-tetrol
Synonyms
LX3305
Comments
LX2931 (LX3305) is a first-in-class, orally available, functional S1P lyase inhibitor, that has been investigated for anti-inflammatory potential [1]. Note that LX2931 does not block S1PL catalytic activity in a biochemical assay even at 100 μM [6].
Database Links
BindingDB Ligand 50018270
ChEMBL Ligand CHEMBL1852164
GtoPdb PubChem SID 363894145
PubChem CID 16731781
Search Google for chemical match using the InChIKey CGJLPLVZAAEKTK-LIVYHJONSA-N
Search Google for chemicals with the same backbone CGJLPLVZAAEKTK
Search UniChem for chemical match using the InChIKey CGJLPLVZAAEKTK-LIVYHJONSA-N
Search UniChem for chemicals with the same backbone CGJLPLVZAAEKTK