CHEMBL318235
SMILES | COc1cc2c(cc1OC)C1=NO[C@@H](CN3CCN(C/C(C)=C/c4ccc(F)cc4)CC3)[C@@H]1CO2 |
InChIKey | UCNOTTVNPRSTFW-XSFNXXSESA-N |
Chemical properties
Hydrogen bond acceptors | 7 |
Hydrogen bond donors | 0 |
Rotatable bonds | 7 |
Molecular weight (Da) | 481.2 |
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 | 7.68 | 8.19 | 8.82 | ChEMBL |
α2C | ADA2C | Human | Adrenoceptors | A | pKi | 8.0 | 8.97 | 9.57 | ChEMBL |
NK1 | NK1R | Human | Tachykinin | A | pKi | 6.51 | 6.51 | 6.51 | ChEMBL |
H1 | HRH1 | Human | Histamine | A | pKi | 7.13 | 7.13 | 7.13 | ChEMBL |
α1A | ADA1A | Human | Adrenoceptors | A | pKi | 6.9 | 6.9 | 6.9 | ChEMBL |
α2A | ADA2A | Human | Adrenoceptors | A | pKi | 7.55 | 8.25 | 8.51 | ChEMBL |
D3 | DRD3 | Human | Dopamine | A | pKi | 6.43 | 6.43 | 6.43 | ChEMBL |
Receptor | Activity | Source | |||||||
---|---|---|---|---|---|---|---|---|---|
GTP | Uniprot | Species | Family | Class | Type | Min | Avg | Max | Database |