MRS4162

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Ligands
MRS4162

Ligand id: 9469

Name: MRS4162

Structure and Physico-chemical Properties

2D Structure

Calculated Physico-chemical Properties
Hydrogen bond acceptors	23
Hydrogen bond donors	10
Rotatable bonds	39
Topological polar surface area	467.74
Molecular weight	1387.36
XLogP	3.23
No. Lipinski's rules broken	3

Molecular properties generated using the CDK

Classification
Compound class	Synthetic organic

Synonyms
BODIPY 630/650 conjugate 28 [1]

Comments
MRS4162 is a BODIPY 630/650 conjugated P2Y₆ receptor antagonist useful as a molecular probe [1]. Although it exhibits activity at the P2Y₂ and P2Y₄ receptors in intracellular signalling assays, it selectively labels P2Y₆ receptors in cellular assays.

Comments

MRS4162 is a BODIPY 630/650 conjugated P2Y₆ receptor antagonist useful as a molecular probe [1]. Although it exhibits activity at the P2Y₂ and P2Y₄ receptors in intracellular signalling assays, it selectively labels P2Y₆ receptors in cellular assays.

Database Links
BindingDB Ligand	50013029
ChEMBL Ligand	CHEMBL3261378
GtoPdb PubChem SID	329968409
PubChem CID	90656230
Search Google for chemical match using the InChIKey	IKFGJXBDIZQEHP-NJFIWEGUSA-N
Search Google for chemicals with the same backbone	IKFGJXBDIZQEHP
Search UniChem for chemical match using the InChIKey	IKFGJXBDIZQEHP-NJFIWEGUSA-N
Search UniChem for chemicals with the same backbone	IKFGJXBDIZQEHP