CHEMBL2431279
SMILES | Brc1ccccc1OCC1=NCCN1 |
InChIKey | KSQOPRCDYFOHET-UHFFFAOYSA-N |
Chemical properties
Hydrogen bond acceptors | 3 |
Hydrogen bond donors | 1 |
Rotatable bonds | 3 |
Molecular weight (Da) | 254.0 |
Drug properties
Molecular type | Small molecule |
Physiological/Surrogate | Surrogate |
Approved drug | No |
Database connections
Bioactivities
Receptor | Activity | Source | |||||||
---|---|---|---|---|---|---|---|---|---|
GTP | Uniprot | Species | Family | Class | Type | Min | Avg | Max | Database |
α2B | ADA2B | Human | Adrenoceptors | A | pKi | 6.21 | 6.21 | 6.21 | ChEMBL |
α2C | ADA2C | Human | Adrenoceptors | A | pKi | 6.4 | 6.4 | 6.4 | ChEMBL |
α2A | ADA2A | Human | Adrenoceptors | A | pKi | 7.02 | 7.02 | 7.02 | ChEMBL |
5-HT1A | 5HT1A | Human | 5-Hydroxytryptamine | A | pKi | 6.25 | 6.25 | 6.25 | ChEMBL |
Receptor | Activity | Source | |||||||
---|---|---|---|---|---|---|---|---|---|
GTP | Uniprot | Species | Family | Class | Type | Min | Avg | Max | Database |
α2B | ADA2B | Human | Adrenoceptors | A | pEC50 | 5.9 | 5.9 | 5.9 | ChEMBL |
α2C | ADA2C | Human | Adrenoceptors | A | pEC50 | 7.01 | 7.01 | 7.01 | ChEMBL |