CHEMBL216464
SMILES | CN1CCN(c2ccc(Nc3c(CO)cnc4cc(Cl)ccc34)cc2)CC1(C)C |
InChIKey | LCLUBKMUZSVUCV-UHFFFAOYSA-N |
Chemical properties
Hydrogen bond acceptors | 5 |
Hydrogen bond donors | 2 |
Rotatable bonds | 4 |
Molecular weight (Da) | 410.2 |
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 | 6.38 | 6.38 | 6.38 | ChEMBL |
α2C | ADA2C | Human | Adrenoceptors | A | pKi | 8.23 | 8.23 | 8.23 | ChEMBL |
α2A | ADA2A | Human | Adrenoceptors | A | pKi | 6.02 | 6.02 | 6.02 | ChEMBL |
Receptor | Activity | Source | |||||||
---|---|---|---|---|---|---|---|---|---|
GTP | Uniprot | Species | Family | Class | Type | Min | Avg | Max | Database |