CHEMBL3597638
SMILES | COc1c(Cl)cccc1N1CCN(CC(O)CCNC(=O)c2cnc3ccccc3c2)CC1 |
InChIKey | BYXLAWSTXWDXIK-UHFFFAOYSA-N |
Chemical properties
Hydrogen bond acceptors | 6 |
Hydrogen bond donors | 2 |
Rotatable bonds | 8 |
Molecular weight (Da) | 468.2 |
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 | 7.5 | 7.5 | 7.5 | ChEMBL |
D2 | DRD2 | Human | Dopamine | A | pKi | 6.05 | 6.05 | 6.05 | ChEMBL |
Receptor | Activity | Source | |||||||
---|---|---|---|---|---|---|---|---|---|
GTP | Uniprot | Species | Family | Class | Type | Min | Avg | Max | Database |