CHEMBL3800341
SMILES | COc1cc(CCNCCc2ccc(O)c3c2OCC(=O)N3)ccc1OCCCc1ccccc1 |
InChIKey | XFQRGEPJIICUBL-UHFFFAOYSA-N |
Chemical properties
Hydrogen bond acceptors | 6 |
Hydrogen bond donors | 3 |
Rotatable bonds | 12 |
Molecular weight (Da) | 476.2 |
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 |
β1 | ADRB1 | Mouse | Adrenoceptors | A | pKi | 7.1 | 7.1 | 7.1 | ChEMBL |
D4 | DRD4 | Human | Dopamine | A | pKi | 7.26 | 7.26 | 7.26 | ChEMBL |
D1 | DRD1 | Human | Dopamine | A | pKi | 6.02 | 6.02 | 6.02 | ChEMBL |
β2 | ADRB2 | Human | Adrenoceptors | A | pKi | 8.55 | 8.55 | 8.55 | ChEMBL |
D3 | DRD3 | Human | Dopamine | A | pKi | 8.46 | 8.46 | 8.46 | ChEMBL |
D2 | DRD2 | Human | Dopamine | A | pKi | 7.77 | 7.84 | 7.92 | ChEMBL |
Receptor | Activity | Source | |||||||
---|---|---|---|---|---|---|---|---|---|
GTP | Uniprot | Species | Family | Class | Type | Min | Avg | Max | Database |
D2 | DRD2 | Human | Dopamine | A | pEC50 | 5.96 | 7.28 | 8.59 | ChEMBL |