LIT-927

Ligand id: 10075

Name: LIT-927

Structure and Physico-chemical Properties

2D Structure
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Calculated Physico-chemical Properties
Hydrogen bond acceptors 2
Hydrogen bond donors 2
Rotatable bonds 3
Topological polar surface area 75.21
Molecular weight 328.06
XLogP 4.27
No. Lipinski's rules broken 0

Molecular properties generated using the CDK

Classification
Compound class Synthetic organic
IUPAC Name
4-(4-Chlorophenyl)-6-(4-hydroxy-3-methoxyphenyl)pyrimidin-2(1H)-one
Synonyms
compound 57 [PMID: 30106292]
Comments
LIT-927 is a small molecule that binds to and neutralises the chemokine CXCL12 [1]. It has been termed a 'neutraligand'. LIT-927 was developed as an alternative strategy to inhibitors for CXCL12's cognate receptors CXCR4 or CXCR7, as a potential anti-inflammatory agent.
Database Links
GtoPdb PubChem SID 375973262
Search Google for chemical match using the InChIKey BYYRNPIGDRRGLJ-UHFFFAOYSA-N
Search Google for chemicals with the same backbone BYYRNPIGDRRGLJ
Search UniChem for chemical match using the InChIKey BYYRNPIGDRRGLJ-UHFFFAOYSA-N
Search UniChem for chemicals with the same backbone BYYRNPIGDRRGLJ