CHEMBL109684
SMILES | CCCN(CCc1ccccc1)C1CCc2c(O)cccc2C1 |
InChIKey | DEYFWGXTPWNADC-UHFFFAOYSA-N |
Chemical properties
Hydrogen bond acceptors | 2 |
Hydrogen bond donors | 1 |
Rotatable bonds | 6 |
Molecular weight (Da) | 309.2 |
Drug properties
Molecular type | Small molecule |
Physiological/Surrogate | Surrogate |
Approved drug | No |
Database connections
Ligand site mutations | D2 |
Bioactivities
Receptor | Activity | Source | |||||||
---|---|---|---|---|---|---|---|---|---|
GTP | Uniprot | Species | Family | Class | Type | Min | Avg | Max | Database |
D4 | DRD4 | Human | Dopamine | A | pKi | 7.27 | 7.27 | 7.27 | ChEMBL |
D1 | DRD1 | Human | Dopamine | A | pKi | 6.09 | 6.09 | 6.09 | ChEMBL |
D2 | DRD2 | Human | Dopamine | A | pKi | 7.72 | 8.2 | 9.3 | ChEMBL |
D2 | DRD2 | Human | Dopamine | A | pKd | 8.37 | 8.37 | 8.37 | ChEMBL |
D2 | DRD2 | Human | Dopamine | A | pKi | 8.23 | 8.23 | 8.23 | PDSP Ki database |
D3 | DRD3 | Human | Dopamine | A | pKi | 9.59 | 9.59 | 9.59 | PDSP Ki database |
D3 | DRD3 | Human | Dopamine | A | pKi | 8.47 | 8.47 | 8.47 | ChEMBL |
Receptor | Activity | Source | |||||||
---|---|---|---|---|---|---|---|---|---|
GTP | Uniprot | Species | Family | Class | Type | Min | Avg | Max | Database |