CHEMBL1928135
SMILES | CCOCCOCc1ccn2ncc(C(=O)NCCCN3CCN(c4ccccc4OC)CC3)c2c1 |
InChIKey | BBOKZSYVAQYXBY-UHFFFAOYSA-N |
Chemical properties
Hydrogen bond acceptors | 8 |
Hydrogen bond donors | 1 |
Rotatable bonds | 13 |
Molecular weight (Da) | 495.3 |
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 |
α1A | Q9TSW7 | Pig | Adrenoceptors | A | pKi | 7.72 | 7.72 | 7.72 | ChEMBL |
D1 | DRD1 | Pig | Dopamine | A | pKi | 5.09 | 5.09 | 5.09 | ChEMBL |
D4 | DRD4 | Human | Dopamine | A | pKi | 7.35 | 7.35 | 7.35 | ChEMBL |
D3 | DRD3 | Human | Dopamine | A | pKi | 6.8 | 6.8 | 6.8 | ChEMBL |
D2 | DRD2 | Human | Dopamine | A | pKi | 7.17 | 7.33 | 7.5 | ChEMBL |
Receptor | Activity | Source | |||||||
---|---|---|---|---|---|---|---|---|---|
GTP | Uniprot | Species | Family | Class | Type | Min | Avg | Max | Database |