brucine


SMILES COc1cc2c(cc1OC)N1[C@@H]3[C@@]42CCN2[C@H]4C[C@@H]4[C@H]3[C@H](CC1=O)OCC=C4C2
InChIKey RRKTZKIUPZVBMF-IBTVXLQLSA-N

Chemical properties

Hydrogen bond acceptors 5
Hydrogen bond donors 0
Rotatable bonds 2
Molecular weight (Da) 394.2

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
M1 ACM1 Human Acetylcholine (muscarinic) A pKd 4.5 4.83 5.8 Guide to Pharmacology
M2 ACM2 Human Acetylcholine (muscarinic) A pKd 4.3 4.38 4.6 Guide to Pharmacology
M3 ACM3 Human Acetylcholine (muscarinic) A pKd 3.6 3.8 4.0 Guide to Pharmacology
M4 ACM4 Human Acetylcholine (muscarinic) A pKd 4.7 5.35 6.0 Guide to Pharmacology
M5 ACM5 Human Acetylcholine (muscarinic) A pKd 2.9 2.9 2.9 Guide to Pharmacology
M1 ACM1 Human Acetylcholine (muscarinic) A pKi 4.35 4.35 4.35 ChEMBL
Receptor Activity Source
GTP Uniprot Species Family Class Type Min Avg Max Database
TAS2R10 T2R10 Human Taste 2 T pEC50 4.22 4.22 4.22 ChEMBL