CHEMBL3656509


SMILES COc1ccnc(Nc2ccc(CC[C@H]3COC(N)=N3)cc2)n1
InChIKey HPJMESFZRYLUAQ-ZDUSSCGKSA-N

Chemical properties

Hydrogen bond acceptors 7
Hydrogen bond donors 2
Rotatable bonds 6
Molecular weight (Da) 313.2

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 9.4 9.4 9.4 ChEMBL
TA1 TAAR1 Mouse Trace amine A pKi 8.33 8.33 8.33 ChEMBL
Receptor Activity Source
GTP Uniprot Species Family Class Type Min Avg Max Database