CHEMBL4549664
SMILES | COc1ccccc1N1CCC2(CCN(CCCSc3nnc(-c4ccc(-c5ncco5)cc4)n3C)CC2)CC1 |
InChIKey | MSFHSIRZEOQLNY-UHFFFAOYSA-N |
Chemical properties
Hydrogen bond acceptors | 9 |
Hydrogen bond donors | 0 |
Rotatable bonds | 9 |
Molecular weight (Da) | 558.3 |
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 |
D3 | DRD3 | Human | Dopamine | A | pKi | 7.59 | 7.59 | 7.59 | ChEMBL |
D2 | DRD2 | Human | Dopamine | A | pKi | 5.8 | 5.8 | 5.8 | ChEMBL |
Receptor | Activity | Source | |||||||
---|---|---|---|---|---|---|---|---|---|
GTP | Uniprot | Species | Family | Class | Type | Min | Avg | Max | Database |