CHEMBL3894329
SMILES | CCC(C)Oc1c(O)cc(Br)c2c1CN1CCc3cc(OC)c(O)cc3[C@@H]1C2 |
InChIKey | ZBZKFPABDUHJCS-ZJFPTPTDSA-N |
Chemical properties
Hydrogen bond acceptors | 5 |
Hydrogen bond donors | 2 |
Rotatable bonds | 4 |
Molecular weight (Da) | 447.1 |
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 | 5.68 | 5.68 | 5.68 | ChEMBL |
D2 | DRD2 | Human | Dopamine | A | pKi | 6.48 | 6.48 | 6.48 | ChEMBL |
D1 | DRD1 | Human | Dopamine | A | pKi | 8.01 | 8.01 | 8.01 | ChEMBL |
Receptor | Activity | Source | |||||||
---|---|---|---|---|---|---|---|---|---|
GTP | Uniprot | Species | Family | Class | Type | Min | Avg | Max | Database |