MRS4162-BODIPY conjugate


SMILES O=C(COc1ccc(cc1)CCCONc1ccn(c(=O)n1)[C@@H]1O[C@@H]([C@H]([C@H]1O)O)COP(=O)(OP(=O)(OP(=O)(O)O)O)O)NCCc1nnn(c1)CCCNC(=O)CCCCCNC(=O)COc1ccc(cc1)/C=C/c1ccc2n1[B-](F)(F)[N+]1=C(C=CC1=C2)c1cccs1
InChIKey IKFGJXBDIZQEHP-NJFIWEGUSA-N

Chemical properties

Hydrogen bond acceptors 24
Hydrogen bond donors 10
Rotatable bonds 36
Molecular weight (Da) 1387.4

Drug properties

Molecular type Small molecule
Physiological/Surrogate Surrogate
Approved drug No

Database connections

Bioactivities

Receptor Activity Source
GTP Uniprot Species Family Class Type Min Avg Max Database
Receptor Activity Source
GTP Uniprot Species Family Class Type Min Avg Max Database
P2Y2 P2RY2 Human P2Y A pEC50 7.18 7.18 7.18 ChEMBL
P2Y4 P2RY4 Human P2Y A pEC50 7.16 7.16 7.16 ChEMBL
P2Y6 P2RY6 Human P2Y A pEC50 7.64 7.64 7.64 ChEMBL
P2Y6 P2RY6 Human P2Y A pEC50 7.64 7.64 7.64 Guide to Pharmacology