CHEMBL2354461


SMILES CC(CNC(=O)[C@@H](Cc1ccccc1)NC(=O)[C@H]1O[C@@H](n2cnc3c(=O)[nH]c(N)nc32)[C@H](O)[C@@H]1O)c1ccccc1
InChIKey ZIOGNFUMCXVLMW-OVKQMOIISA-N

Chemical properties

Hydrogen bond acceptors 10
Hydrogen bond donors 6
Rotatable bonds 9
Molecular weight (Da) 561.2

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
Receptor Activity Source
GTP Uniprot Species Family Class Type Min Avg Max Database
TA1 TAAR1 Human Trace amine A pIC50 4.82 4.82 4.82 ChEMBL
TA1 TAAR1 Human Trace amine A pEC50 5.45 5.45 5.45 ChEMBL