CHEMBL4076129
SMILES | CN[C@@H]1Cc2cccc3c2n(c(=O)n3CCCCCCCCCCOCCCCc2ccccc2)C1 |
InChIKey | HEHAZZLOEUQBDS-MUUNZHRXSA-N |
Chemical properties
Hydrogen bond acceptors | 5 |
Hydrogen bond donors | 1 |
Rotatable bonds | 17 |
Molecular weight (Da) | 491.4 |
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 |
D3 | DRD3 | Human | Dopamine | A | pKi | 6.95 | 6.95 | 6.95 | ChEMBL |
D2 | DRD2 | Human | Dopamine | A | pKi | 7.62 | 7.62 | 7.62 | ChEMBL |
Receptor | Activity | Source | |||||||
---|---|---|---|---|---|---|---|---|---|
GTP | Uniprot | Species | Family | Class | Type | Min | Avg | Max | Database |
D2 | DRD2 | Human | Dopamine | A | pEC50 | 5.6 | 5.88 | 6.15 | ChEMBL |
D2 | DRD2 | Human | Dopamine | A | pIC50 | 5.35 | 5.72 | 6.1 | ChEMBL |