JMS-17-2

Ligand id: 10390

Name: JMS-17-2

Structure and Physico-chemical Properties

2D Structure
Calculated Physico-chemical Properties
Hydrogen bond acceptors 1
Hydrogen bond donors 0
Rotatable bonds 5
Topological polar surface area 29.65
Molecular weight 419.18
XLogP 6.88
No. Lipinski's rules broken 1

Molecular properties generated using the CDK

Classification
Compound class Synthetic organic
IUPAC Name
5-[3-[4-(4-Chlorophenyl)-1-piperidinyl]propyl]pyrrolo[1,2-a]quinoxalin-4(5H)-one
Synonyms
JMS 17-2
Comments
JMS-17-2 is CX3CR1 (fractalkine receptor) antagonist that was developed as a tool compound to evaluate the oncological potential of antagonising the CX3CR1 pathway [2]. Experimental evidence indicates that CX3CR1 has prometastatic activity in tumour cells, particulary in breast cancer cells. JMS-17-2 was developed to antagonise this action, to reduce metastatic seeding of circulating cancer cells to secondary tissues and reduce progression of established metastases. The compound is active, as the hydrochloride, in vitro and in vivo. It is one of the structures claimed in patent WO2012078633 [1].
Database Links
CAS Registry No. 1380392-05-1 (source: PubChem)
GtoPdb PubChem SID 384403669
PubChem CID 57382073
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