N-benzyl brucine


SMILES COc1cc2c(cc1OC)N1[C@@H]3[C@@]42CC[N+]2([C@H]4C[C@@H]4[C@H]3[C@H](CC1=O)OCC=C4C2)Cc1ccccc1
InChIKey XFMQETLKDRNYRE-QIBSSCBHSA-N

Chemical properties

Hydrogen bond acceptors 4
Hydrogen bond donors 0
Rotatable bonds 4
Molecular weight (Da) 485.2

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
H1 HRH1 Rat Histamine A pKi 8.89 8.89 8.89 PDSP Ki database
H1 HRH1 Bovine Histamine A pKi 9.14 9.14 9.14 Guide to Pharmacology
Receptor Activity Source
GTP Uniprot Species Family Class Type Min Avg Max Database