SB656104


SMILES Clc1ccc(cc1)OC1CCN(CC1)CC[C@H]1CCCN1S(=O)(=O)c1ccc2c(c1)[nH]cc2
InChIKey QEGMGDYIJDZJCI-OAQYLSRUSA-N

Chemical properties

Hydrogen bond acceptors 4
Hydrogen bond donors 1
Rotatable bonds 7
Molecular weight (Da) 487.2

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
β2 ADRB2 Human Adrenoceptors A pKi 5.0 5.0 5.0 PDSP Ki database
Receptor Activity Source
GTP Uniprot Species Family Class Type Min Avg Max Database
TA1 TAAR1 Rhesus macaque Trace amine A pEC50 5.73 5.73 5.73 ChEMBL
TA1 TAAR1 Rat Trace amine A pEC50 5.85 6.66 7.47 ChEMBL
TA1 TAAR1 Human Trace amine A pEC50 5.77 6.08 6.6 ChEMBL
TA1 TAAR1 Mouse Trace amine A pEC50 5.3 6.5 7.19 ChEMBL
TA1 TAAR1 Human Trace amine A pEC50 8.18 8.18 8.18 Drug Central
TA1 TAAR1 Rat Trace amine A pEC50 8.13 8.13 8.13 Drug Central
TA1 TAAR1 Human Trace amine A pEC50 6.4 6.4 6.4 Guide to Pharmacology
TA1 TAAR1 Rat Trace amine A pEC50 6.5 6.6 6.7 Guide to Pharmacology
TA1 TAAR1 Mouse Trace amine A pEC50 8.14 8.14 8.14 Drug Central
TA1 TAAR1 Mouse Trace amine A pEC50 5.3 6.25 7.2 Guide to Pharmacology
TA1 TAAR1 Rhesus macaque Trace amine A pEC50 8.24 8.24 8.24 Drug Central