CHEMBL3265067
SMILES | CCCN(CC[C@]1(O)C[C@@H](NC(=O)c2ccc3ccccc3c2)C1)[C@@H]1C[C@H]1c1ccc(Cl)cc1 |
InChIKey | KIRKSXHWZHQUBF-YJIPECKFSA-N |
Chemical properties
Hydrogen bond acceptors | 3 |
Hydrogen bond donors | 2 |
Rotatable bonds | 9 |
Molecular weight (Da) | 476.2 |
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 | Rat | Dopamine | A | pKi | 8.57 | 8.57 | 8.57 | ChEMBL |
D3 | DRD3 | Human | Dopamine | A | pKi | 8.55 | 8.55 | 8.55 | ChEMBL |
D2 | DRD2 | Human | Dopamine | A | pKi | 6.21 | 6.21 | 6.21 | ChEMBL |
Receptor | Activity | Source | |||||||
---|---|---|---|---|---|---|---|---|---|
GTP | Uniprot | Species | Family | Class | Type | Min | Avg | Max | Database |
D3 | DRD3 | Human | Dopamine | A | pIC50 | 6.49 | 6.49 | 6.49 | ChEMBL |