β-phenylethylamine


SMILES NCCc1ccccc1
InChIKey BHHGXPLMPWCGHP-UHFFFAOYSA-N

Chemical properties

Hydrogen bond acceptors 1
Hydrogen bond donors 1
Rotatable bonds 2
Molecular weight (Da) 121.1

Drug properties

Molecular type Small molecule
Physiological/Surrogate Endogenous
Approved drug Yes

Database connections

Structure pdb 8WCA 8IWM 8IW7 8WC6 8W89
Ligand site mutations α1B

Bioactivities

Receptor Activity Source
GTP Uniprot Species Family Class Type Min Avg Max Database
5-HT2A 5HT2A Human 5-Hydroxytryptamine A pKi 4.78 4.78 4.78 ChEMBL
Receptor Activity Source
GTP Uniprot Species Family Class Type Min Avg Max Database
TA1 TAAR1 Human Trace amine A pEC50 6.2 6.6 7.0 Guide to Pharmacology
TA1 TAAR1 Rat Trace amine A pEC50 6.4 6.5 6.6 Guide to Pharmacology
Taar4 TAAR4 Mouse Orphan A pEC50 6.0 6.0 6.0 Guide to Pharmacology
TA1 TAAR1 Mouse Trace amine A pEC50 6.3 6.85 7.4 Guide to Pharmacology
TA1 TAAR1 Human Trace amine A pEC50 6.89 7.11 7.82 ChEMBL
TA1 TAAR1 Rat Trace amine A pEC50 6.58 6.81 7.39 ChEMBL
TA1 TAAR1 Mouse Trace amine A pEC50 6.72 6.99 7.33 ChEMBL