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
Endogenous/Surrogate Surrogate
Approved drug No

Database connections

Bioactivities

Receptor Activity Source
GTP Uniprot Species Family Class Type Min Avg Max Database
B2 BKRB2 Guinea pig Bradykinin A pKi 8.04 8.04 8.04 ChEMBL
Receptor Activity Source
GTP Uniprot Species Family Class Type Min Avg Max Database
B2 BKRB2 Guinea pig Bradykinin A pIC50 7.09 7.09 7.09 ChEMBL