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]
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