denatonium


SMILES CC[N+](CC)(CC1=CC=CC=C1)CC(=O)NC2=C(C=CC=C2C)C
InChIKey ZFQMTVNLDNXRNQ-UHFFFAOYSA-O

Chemical properties

Hydrogen bond acceptors 1
Hydrogen bond donors 1
Rotatable bonds 7
Molecular weight (Da) 325.2

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
SST1 SSR1 Rat Somatostatin A pKd 9.24 9.24 9.24 ChEMBL
SST1 SSR1 Human Somatostatin A pKd 8.27 8.27 8.27 ChEMBL
SST4 SSR4 Human Somatostatin A pKd 5.62 5.62 5.62 ChEMBL
SST2 SSR2 Human Somatostatin A pKd 4.91 4.91 4.91 ChEMBL
SST3 SSR3 Human Somatostatin A pKd 5.57 5.57 5.57 ChEMBL
D4 DRD4 Human Dopamine A pKd 6.9 6.9 6.9 ChEMBL
D2 DRD2 Human Dopamine A pKd 6.11 6.11 6.11 ChEMBL
SST2 SSR2 Rat Somatostatin A pKd 4.71 4.71 4.71 ChEMBL
Receptor Activity Source
GTP Uniprot Species Family Class Type Min Avg Max Database