CHEMBL485128
SMILES | CCCN1CCO[C@@H]2c3cc4c(cc3CC[C@H]21)COC4=O |
InChIKey | PEJRVVYNELAPOR-HZPDHXFCSA-N |
Chemical properties
Hydrogen bond acceptors | 4 |
Hydrogen bond donors | 0 |
Rotatable bonds | 2 |
Molecular weight (Da) | 287.2 |
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 | 8.12 | 8.12 | 8.12 | ChEMBL |
D2 | DRD2 | Human | Dopamine | A | pKi | 5.69 | 5.69 | 5.69 | ChEMBL |
Receptor | Activity | Source | |||||||
---|---|---|---|---|---|---|---|---|---|
GTP | Uniprot | Species | Family | Class | Type | Min | Avg | Max | Database |
D3 | DRD3 | Human | Dopamine | A | pEC50 | 8.64 | 8.64 | 8.64 | ChEMBL |