CHEMBL1928134
SMILES | CCOCCOc1ccn2ncc(C(=O)NCCCCN3CCN(c4ccccc4OC)CC3)c2c1 |
InChIKey | PKJVDKUHFZYEMN-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 |
Physiological/Surrogate | Surrogate |
Approved drug | No |
Database connections
Bioactivities
Receptor | Activity | Source | |||||||
---|---|---|---|---|---|---|---|---|---|
GTP | Uniprot | Species | Family | Class | Type | Min | Avg | Max | Database |
D2 | DRD2 | Human | Dopamine | A | pKi | 7.75 | 8.13 | 8.52 | ChEMBL |
D3 | DRD3 | Human | Dopamine | A | pKi | 9.18 | 9.18 | 9.18 | ChEMBL |
D4 | DRD4 | Human | Dopamine | A | pKi | 7.19 | 7.19 | 7.19 | ChEMBL |
D1 | DRD1 | Pig | Dopamine | A | pKi | 5.8 | 5.8 | 5.8 | ChEMBL |
α1A | Q9TSW7 | Pig | Adrenoceptors | A | pKi | 8.92 | 8.92 | 8.92 | ChEMBL |
Receptor | Activity | Source | |||||||
---|---|---|---|---|---|---|---|---|---|
GTP | Uniprot | Species | Family | Class | Type | Min | Avg | Max | Database |