CHEMBL3139633
SMILES | Oc1ccc2c(c1)O[C@@H](CN1CCN(c3ccc(I)cc3)CC1)CC2 |
InChIKey | KZRRDNCOFUHBIS-LJQANCHMSA-N |
Chemical properties
Hydrogen bond acceptors | 4 |
Hydrogen bond donors | 1 |
Rotatable bonds | 3 |
Molecular weight (Da) | 450.1 |
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 | 4.33 | 4.42 | 4.52 | ChEMBL |
D3 | DRD3 | Human | Dopamine | A | pKi | 7.62 | 7.62 | 7.62 | ChEMBL |
D4 | DRD4 | Human | Dopamine | A | pKi | 7.84 | 7.84 | 7.84 | ChEMBL |
D5 | DRD5 | Human | Dopamine | A | pKi | 4.75 | 4.75 | 4.76 | ChEMBL |
Receptor | Activity | Source | |||||||
---|---|---|---|---|---|---|---|---|---|
GTP | Uniprot | Species | Family | Class | Type | Min | Avg | Max | Database |