CHEMBL49231
SMILES | COc1ccccc1N1CCN(CNC(=O)c2ccc(Cl)cc2)CC1 |
InChIKey | PNUAYJRARXKVQH-UHFFFAOYSA-N |
Chemical properties
Hydrogen bond acceptors | 4 |
Hydrogen bond donors | 1 |
Rotatable bonds | 5 |
Molecular weight (Da) | 359.1 |
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 |
D4 | DRD4 | Human | Dopamine | A | pKi | 7.85 | 8.05 | 8.46 | ChEMBL |
D3 | DRD3 | Human | Dopamine | A | pKi | 6.57 | 6.57 | 6.57 | ChEMBL |
D2 | DRD2 | Human | Dopamine | A | pKi | 6.46 | 6.52 | 6.57 | ChEMBL |
Receptor | Activity | Source | |||||||
---|---|---|---|---|---|---|---|---|---|
GTP | Uniprot | Species | Family | Class | Type | Min | Avg | Max | Database |
D4 | DRD4 | Human | Dopamine | A | pEC50 | 8.08 | 8.08 | 8.08 | ChEMBL |