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

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 5.0 5.0 5.0 PDSP Ki database
5-HT2A 5HT2A Human 5-Hydroxytryptamine A pKi 4.78 4.78 4.78 ChEMBL
H1 HRH1 Human Histamine A pKi 3.8 4.4 5.0 PDSP Ki database
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 A orphans A pEC50 6.0 6.0 6.0 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
TA1 TAAR1 Mouse Trace amine A pEC50 6.3 6.85 7.4 Guide to Pharmacology