2C-B
SMILES | BrC1=CC(=C(C=C1OC)CCN)OC |
InChIKey | YMHOBZXQZVXHBM-UHFFFAOYSA-N |
Chemical properties
Hydrogen bond acceptors | 3 |
Hydrogen bond donors | 1 |
Rotatable bonds | 4 |
Molecular weight (Da) | 259.0 |
Drug properties
Molecular type | Small molecule |
Physiological/Surrogate | Surrogate |
Approved drug | Yes |
Database connections
Bioactivities
Receptor | Activity | Source | |||||||
---|---|---|---|---|---|---|---|---|---|
GTP | Uniprot | Species | Family | Class | Type | Min | Avg | Max | Database |
5-HT2A | 5HT2A | Human | 5-Hydroxytryptamine | A | pKi | 9.18 | 9.18 | 9.18 | Guide to Pharmacology |
5-HT2A | 5HT2A | Human | 5-Hydroxytryptamine | A | pKi | 7.47 | 8.55 | 9.18 | ChEMBL |
5-HT2C | 5HT2C | Rat | 5-Hydroxytryptamine | A | pKi | 6.72 | 7.2 | 7.44 | ChEMBL |
Receptor | Activity | Source | |||||||
---|---|---|---|---|---|---|---|---|---|
GTP | Uniprot | Species | Family | Class | Type | Min | Avg | Max | Database |
TA1 | TAAR1 | Human | Trace amine | A | pEC50 | 5.14 | 5.14 | 5.14 | ChEMBL |