CHEMBL201027
SMILES | COc1ccc2ccnc(N3CCN(CCCCNC(=O)c4cc5cccc(OC)c5o4)CC3)c2c1 |
InChIKey | IKWFRNZOZWEGCD-UHFFFAOYSA-N |
Chemical properties
Hydrogen bond acceptors | 7 |
Hydrogen bond donors | 1 |
Rotatable bonds | 9 |
Molecular weight (Da) | 488.2 |
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 | 6.99 | 6.99 | 6.99 | ChEMBL |
D2 | DRD2 | Human | Dopamine | A | pKi | 6.29 | 6.29 | 6.29 | ChEMBL |
Receptor | Activity | Source | |||||||
---|---|---|---|---|---|---|---|---|---|
GTP | Uniprot | Species | Family | Class | Type | Min | Avg | Max | Database |