BE-2254
SMILES | C1CC2=CC=CC=C2C(=O)C1CNCCC3=CC=C(C=C3)O |
InChIKey | PZZOEXPDTYIBPI-UHFFFAOYSA-N |
Chemical properties
Hydrogen bond acceptors | 3 |
Hydrogen bond donors | 2 |
Rotatable bonds | 5 |
Molecular weight (Da) | 295.2 |
Drug properties
Molecular type | Small molecule |
Endogenous/Surrogate | Surrogate |
Approved drug | No |
Database connections
Bioactivities
Receptor | Activity | Source | |||||||
---|---|---|---|---|---|---|---|---|---|
GTP | Uniprot | Species | Family | Class | Type | Min | Avg | Max | Database |
5-HT2A | 5HT2A | Human | 5-Hydroxytryptamine | A | pKi | 6.01 | 6.01 | 6.01 | PDSP Ki database |
5-HT2A | 5HT2A | Pig | 5-Hydroxytryptamine | A | pKi | 5.14 | 5.14 | 5.14 | PDSP Ki database |
α2A | ADA2A | Human | Adrenoceptors | A | pKi | 9.03 | 9.03 | 9.03 | PDSP Ki database |
α2C | ADA2C | Human | Adrenoceptors | A | pKi | 9.3 | 9.3 | 9.3 | PDSP Ki database |
α2B | ADA2B | Rat | Adrenoceptors | A | pKi | 9.17 | 9.17 | 9.17 | PDSP Ki database |
Receptor | Activity | Source | |||||||
---|---|---|---|---|---|---|---|---|---|
GTP | Uniprot | Species | Family | Class | Type | Min | Avg | Max | Database |