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 |
5-HT2A | 5HT2A | Human | 5-Hydroxytryptamine | A | pKi | 5.0 | 5.0 | 5.0 | PDSP Ki database |
H1 | HRH1 | Human | Histamine | A | pKi | 3.8 | 4.4 | 5.0 | PDSP Ki 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 | 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 |