CHEMBL1928129
SMILES | COc1ccccc1N1CCN(CCCNC(=O)c2ccc(COCCOCCOCCOCCOCCOCCOCc3ccc(C(=O)NCCCN4CCN(c5ccccc5OC)CC4)cc3)cc2)CC1 |
InChIKey | JPDDFPJRGRBBJU-UHFFFAOYSA-N |
Chemical properties
Hydrogen bond acceptors | 15 |
Hydrogen bond donors | 2 |
Rotatable bonds | 36 |
Molecular weight (Da) | 1012.6 |
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 | 8.19 | 8.19 | 8.19 | ChEMBL |
D1 | DRD1 | Pig | Dopamine | A | pKi | 6.09 | 6.09 | 6.09 | ChEMBL |
D4 | DRD4 | Human | Dopamine | A | pKi | 6.8 | 6.8 | 6.8 | ChEMBL |
D3 | DRD3 | Human | Dopamine | A | pKi | 7.96 | 7.96 | 7.96 | ChEMBL |
D2 | DRD2 | Human | Dopamine | A | pKi | 7.29 | 7.5 | 7.7 | ChEMBL |
Receptor | Activity | Source | |||||||
---|---|---|---|---|---|---|---|---|---|
GTP | Uniprot | Species | Family | Class | Type | Min | Avg | Max | Database |