CHEMBL2206381


SMILES COc1cccc(N(Cc2cnc[nH]2)C(C)C)c1
InChIKey DCFNZAPUZDWYSA-UHFFFAOYSA-N

Chemical properties

Hydrogen bond acceptors 3
Hydrogen bond donors 1
Rotatable bonds 5
Molecular weight (Da) 245.2

Drug properties

Molecular type Small molecule
Physiological/Surrogate Surrogate
Approved drug No

Database connections

Sankey plot

Compound is not listed as a drug.

Bioactivities

Receptor Activity Source
GTP Uniprot Species Family Class Type Min Avg Max Database
TA1 TAAR1 Human Trace amine A pKi 8.3 8.3 8.3 ChEMBL
TA1 TAAR1 Mouse Trace amine A pKi 8.26 8.26 8.26 ChEMBL
Receptor Activity Source
GTP Uniprot Species Family Class Type Min Avg Max Database
TA1 TAAR1 Rat Trace amine A pEC50 7.21 7.21 7.21 ChEMBL
TA1 TAAR1 Human Trace amine A pEC50 7.43 7.43 7.43 ChEMBL
TA1 TAAR1 Mouse Trace amine A pEC50 7.14 7.14 7.14 ChEMBL