MRS4162

Ligand id: 9469

Name: MRS4162  

Structure and Physico-chemical Properties

2D Structure
Calculated Physico-chemical Properties
Hydrogen bond acceptors 26
Hydrogen bond donors 11
Rotatable bonds 39
Topological polar surface area 465.19
Molecular weight 1388.36
XLogP 4.88
No. Lipinski's rules broken 3

Molecular properties generated using the CDK

Classification
Compound class Synthetic organic
Synonyms
BODIPY 630/650 conjugate 28 [1]
Database Links
BindingDB Ligand 50013029
ChEMBL Ligand CHEMBL3261378
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
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.