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
Endogenous/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
A1 AA1R Human Adenosine A pKi 5.74 5.74 5.74 Guide to Pharmacology
A2A AA2AR Human Adenosine A pKi 6.33 6.33 6.33 Guide to Pharmacology
A2B AA2BR Human Adenosine A pKi 6.21 6.21 6.21 Guide to Pharmacology
A3 AA3R Human Adenosine A pKi 9.7 9.7 9.7 ChEMBL
A1 AA1R Human Adenosine A pKi 5.75 5.75 5.75 ChEMBL
A2A AA2AR Human Adenosine A pKi 6.33 6.33 6.33 ChEMBL
A3 AA3R Human Adenosine A pKi 9.7 9.7 9.7 Guide to Pharmacology
Receptor Activity Source
GTP Uniprot Species Family Class Type Min Avg Max Database
A3 AA3R Human Adenosine A pIC50 6.57 6.57 6.57 ChEMBL