CHEMBL1627
SMILES | CNC(=O)C(CCN1CCC(O)(c2ccc(Cl)cc2)CC1)(c1ccccc1)c1ccccc1 |
InChIKey | ZMOPTLXEYOVARP-UHFFFAOYSA-N |
Chemical properties
Hydrogen bond acceptors | 3 |
Hydrogen bond donors | 2 |
Rotatable bonds | 7 |
Molecular weight (Da) | 462.2 |
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 | 8.15 | 8.15 | 8.15 | ChEMBL |
α2C | ADA2C | Human | Adrenoceptors | A | pKi | 8.62 | 8.62 | 8.62 | ChEMBL |
H2 | HRH2 | Human | Histamine | A | pKi | 8.77 | 8.77 | 8.77 | ChEMBL |
H1 | HRH1 | Human | Histamine | A | pKi | 8.38 | 8.38 | 8.38 | ChEMBL |
D4 | DRD4 | Human | Dopamine | A | pKi | 8.96 | 8.96 | 8.96 | ChEMBL |
α1A | ADA1A | Human | Adrenoceptors | A | pKi | 8.0 | 8.0 | 8.0 | ChEMBL |
α2A | ADA2A | Human | Adrenoceptors | A | pKi | 9.0 | 9.0 | 9.0 | ChEMBL |
H3 | HRH3 | Human | Histamine | A | pKi | 8.03 | 8.03 | 8.03 | ChEMBL |
μ | OPRM | Human | Opioid | A | pKi | 9.22 | 9.22 | 9.22 | ChEMBL |
Receptor | Activity | Source | |||||||
---|---|---|---|---|---|---|---|---|---|
GTP | Uniprot | Species | Family | Class | Type | Min | Avg | Max | Database |