CHEMBL4071185
SMILES | CCCN(CCCCOc1ccc2c(C=O)cnn2c1)[C@H]1CCc2c(O)cccc2C1 |
InChIKey | NWVXCTHMKYPUKK-NRFANRHFSA-N |
Chemical properties
Hydrogen bond acceptors | 6 |
Hydrogen bond donors | 1 |
Rotatable bonds | 10 |
Molecular weight (Da) | 421.2 |
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 | Human | Dopamine | A | pKi | 5.85 | 5.85 | 5.85 | ChEMBL |
5-HT2A | 5HT2A | Human | 5-Hydroxytryptamine | A | pKi | 5.64 | 5.64 | 5.64 | ChEMBL |
D2 | DRD2 | Human | Dopamine | A | pKi | 8.62 | 8.82 | 9.03 | ChEMBL |
D3 | DRD3 | Human | Dopamine | A | pKi | 8.8 | 8.8 | 8.8 | ChEMBL |
D4 | DRD4 | Human | Dopamine | A | pKi | 8.1 | 8.1 | 8.1 | ChEMBL |
Receptor | Activity | Source | |||||||
---|---|---|---|---|---|---|---|---|---|
GTP | Uniprot | Species | Family | Class | Type | Min | Avg | Max | Database |
D2 | DRD2 | Human | Dopamine | A | pEC50 | 7.75 | 8.98 | 9.92 | ChEMBL |