CHEMBL4474113
SMILES | CCCN1CCO[C@@H]2c3cc(OCCCCNC(=O)c4ccc5scnc5c4)ccc3OC[C@H]21 |
InChIKey | LYLNGHHEGYQUJV-RCZVLFRGSA-N |
Chemical properties
Hydrogen bond acceptors | 7 |
Hydrogen bond donors | 1 |
Rotatable bonds | 9 |
Molecular weight (Da) | 481.2 |
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 | 5.67 | 5.67 | 5.67 | ChEMBL |
D2 | DRD2 | Human | Dopamine | A | pKi | 5.04 | 5.04 | 5.04 | ChEMBL |
Receptor | Activity | Source | |||||||
---|---|---|---|---|---|---|---|---|---|
GTP | Uniprot | Species | Family | Class | Type | Min | Avg | Max | Database |