CHEMBL1926700
SMILES | COc1ccccc1N1CCN(CCCNC(=O)c2cnn3ccc(OCCOCCOCCOCCOc4ccn5ncc(C(=O)NCCCN6CCN(c7ccccc7OC)CC6)c5c4)cc23)CC1 |
InChIKey | SKOOZXVTNXFHFP-UHFFFAOYSA-N |
Chemical properties
Hydrogen bond acceptors | 17 |
Hydrogen bond donors | 2 |
Rotatable bonds | 28 |
Molecular weight (Da) | 976.5 |
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 |
D1 | DRD1 | Pig | Dopamine | A | pKi | 5.89 | 5.89 | 5.89 | ChEMBL |
D4 | DRD4 | Human | Dopamine | A | pKi | 7.29 | 7.29 | 7.29 | ChEMBL |
D3 | DRD3 | Human | Dopamine | A | pKi | 8.46 | 8.46 | 8.46 | ChEMBL |
D2 | DRD2 | Human | Dopamine | A | pKi | 8.08 | 8.32 | 8.57 | ChEMBL |
α1A | Q9TSW7 | Pig | Adrenoceptors | A | pKi | 8.39 | 8.39 | 8.39 | ChEMBL |
Receptor | Activity | Source | |||||||
---|---|---|---|---|---|---|---|---|---|
GTP | Uniprot | Species | Family | Class | Type | Min | Avg | Max | Database |