CHEMBL4114308


SMILES O=C(Nc1ccc([C@H]2CNCCO2)cc1)c1cnn(-c2ccc(C(F)(F)F)cc2)n1
InChIKey IBYMAJRGHIHKQY-GOSISDBHSA-N

Chemical properties

Hydrogen bond acceptors 6
Hydrogen bond donors 2
Rotatable bonds 4
Molecular weight (Da) 417.1

Drug properties

Molecular type Small molecule
Physiological/Surrogate Surrogate
Approved drug No

Database connections

Bioactivities

Receptor Activity Source
GTP Uniprot Species Family Class Type Min Avg Max Database
TA1 TAAR1 Rat Trace amine A pKi 9.7 9.7 9.7 ChEMBL
TA1 TAAR1 Mouse Trace amine A pKi 9.4 9.4 9.4 ChEMBL
Receptor Activity Source
GTP Uniprot Species Family Class Type Min Avg Max Database