CHEMBL246229
SMILES | COc1cc2c(cc1OC)CN(Cc1ccc(OC)c3oc(-c4ccccn4)cc13)CC2 |
InChIKey | VLMCHIMKCURVRR-UHFFFAOYSA-N |
Chemical properties
Hydrogen bond acceptors | 6 |
Hydrogen bond donors | 0 |
Rotatable bonds | 6 |
Molecular weight (Da) | 430.2 |
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 |
α2B | ADA2B | Human | Adrenoceptors | A | pKi | 6.48 | 6.48 | 6.48 | ChEMBL |
α2C | ADA2C | Human | Adrenoceptors | A | pKi | 8.02 | 8.02 | 8.02 | ChEMBL |
α2A | ADA2A | Human | Adrenoceptors | A | pKi | 6.87 | 6.87 | 6.87 | ChEMBL |
α2C | ADA2C | Human | Adrenoceptors | A | pKi | 8.02 | 8.02 | 8.02 | PDSP Ki database |
α2A | ADA2A | Human | Adrenoceptors | A | pKi | 6.87 | 6.87 | 6.87 | PDSP Ki database |
α2B | ADA2B | Human | Adrenoceptors | A | pKi | 6.48 | 6.48 | 6.48 | PDSP Ki database |
Receptor | Activity | Source | |||||||
---|---|---|---|---|---|---|---|---|---|
GTP | Uniprot | Species | Family | Class | Type | Min | Avg | Max | Database |